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homocysteine, N-benzoyl-S-methyl-, pentyl ester
SpectraBase Compound ID 2lo92GX0jtN
InChI InChI=1S/C17H25NO3S/c1-3-4-8-12-21-17(20)15(11-13-22-2)18-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKey UIAGQDKQXLPDJQ-UHFFFAOYSA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNmLwwJ0v3L
Name Butanoic acid, 2-benzoylamino-4-methylthio-, pentyl ester
Alternate Name(s) 2-Benzamido-4-(methylthio)butanoic acid pentyl ester 2-Benzamido-4-(methylthio)butyric acid amyl ester Pentyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate Pentyl 2-benzamido-4-methylsulfanyl-butanoate
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Formula C17H25NO3S
InChI InChI=1S/C17H25NO3S/c1-3-4-8-12-21-17(20)15(11-13-22-2)18-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKey UIAGQDKQXLPDJQ-UHFFFAOYSA-N
Molecular Weight 323.451 g/mol
SMILES N(C(=O)c1ccccc1)C(C(=O)OCCCCC)CCSC
SPLASH splash10-0a6u-9400000000-4e000bc8568e6643e07b
Source of Spectrum AD-0-2532-0
Wiley ID 1421157