N-(3-甲氧基苄基)-十八碳酰胺结构式

N-(3-甲氧基苄基)-十八碳酰胺
中文名称:N-(3-甲氧基苄基)-十八碳酰胺
英文名称:N-(3-methoxybenzyl)-octadecanamide
CAS No.:1429659-99-3
分子式:C26H45NO2 分子量:403.641008138657
N-(3-甲氧基苄基)-十八碳酰胺 数据
Mol:
  -4.3302    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6602    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6602   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5263    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  2  0  0  0  0
  1 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 28 29  1  0  0  0  0
 24 28  1  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
M  END                                
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N-(3-甲氧基苄基)-十八碳酰胺 Smile 编码:
C(NCC1=CC=CC(OC)=C1)(=O)CCCCCCCCCCCCCCCCC
N-(3-甲氧基苄基)-十八碳酰胺 InChi 编码:
InChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h18-20,22H,3-17,21,23H2,1-2H3,(H,27,28)
N-(3-甲氧基苄基)-十八碳酰胺 InChiKey 编码:
SUYDJGAZOQXONR-UHFFFAOYSA-N