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9-Octadecenoic acid, 12-[(phenylacetyl)amino]-, methyl ester, (Z)-
SpectraBase Compound ID 5XNpp4iWmSG
InChI InChI=1S/C27H43NO3/c1-3-4-5-15-20-25(28-26(29)23-24-18-13-12-14-19-24)21-16-10-8-6-7-9-11-17-22-27(30)31-2/h10,12-14,16,18-19,25H,3-9,11,15,17,20-23H2,1-2H3,(H,28,29)/b16-10-
InChIKey PATXROFWONTVFW-YBEGLDIGSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0I2xVZsjvU
Name 9-Octadecenoic acid, 12-[(phenylacetyl)amino]-, methyl ester, (Z)-
CAS Registry Number 120783-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-3-4-5-15-20-25(28-26(29)23-24-18-13-12-14-19-24)21-16-10-8-6-7-9-11-17-22-27(30)31-2/h10,12-14,16,18-19,25H,3-9,11,15,17,20-23H2,1-2H3,(H,28,29)/b16-10-
InChIKey PATXROFWONTVFW-YBEGLDIGSA-N
Molecular Weight 429.645 g/mol
SMILES N(C(=O)Cc1ccccc1)C(C\C=C/CCCCCCCC(=O)OC)CCCCCC
SPLASH splash10-03e9-0950000000-cd2a429169b645dd0a99
Source of Spectrum KC-1989-5-1
Synonyms Methyl (9Z)-12-[(phenylacetyl)amino]-9-octadecenoate Methyl 12-benzylcarbonylamino-octadeca-9-enoate
Wiley ID 1381242