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Octadecanoic acid, 2-[(4-bromobenzoyl)amino]-, methyl ester, (R)-
SpectraBase Compound ID 8wXbWTXBfMD
InChI InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26(30)31-2)28-25(29)22-18-20-23(27)21-19-22/h18-21,24H,3-17H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKey QCQICFIAIFALBR-XMMPIXPASA-N
Mol Weight 496.5 g/mol
Molecular Formula C26H42BrNO3
Exact Mass 495.234807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zscVJVyXw
Name Octadecanoic acid, 2-[(4-bromobenzoyl)amino]-, methyl ester, (R)-
CAS Registry Number 113507-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42BrNO3
InChI InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26(30)31-2)28-25(29)22-18-20-23(27)21-19-22/h18-21,24H,3-17H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKey QCQICFIAIFALBR-XMMPIXPASA-N
Molecular Weight 496.530 g/mol
SMILES N(C(c1ccc(cc1)Br)=O)[C@@](C(=O)OC)(CCCCCCCCCCCCCCCC)[H]
SPLASH splash10-0079-4953400000-42fe1522e25a5eccb469
Source of Spectrum J-53-2105-8
Synonyms Methyl (2R)-2-[(4-bromobenzoyl)amino]octadecanoate
Wiley ID 1398076