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4-(Methylthio)-2-undecanoylaminobutyric acid, ethyl ester

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4-(Methylthio)-2-undecanoylaminobutyric acid, ethyl ester
SpectraBase Compound ID JsM2786Pcok
InChI InChI=1S/C18H35NO3S/c1-4-6-7-8-9-10-11-12-13-17(20)19-16(14-15-23-3)18(21)22-5-2/h16H,4-15H2,1-3H3,(H,19,20)
InChIKey IIJWIFIOFLHOML-UHFFFAOYSA-N
Mol Weight 345.5 g/mol
Molecular Formula C18H35NO3S
Exact Mass 345.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3sBWNSLDKy
Name 4-(Methylthio)-2-undecanoylaminobutyric acid, ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H35NO3S
InChI InChI=1S/C18H35NO3S/c1-4-6-7-8-9-10-11-12-13-17(20)19-16(14-15-23-3)18(21)22-5-2/h16H,4-15H2,1-3H3,(H,19,20)
InChIKey IIJWIFIOFLHOML-UHFFFAOYSA-N
Molecular Weight 345.542 g/mol
SMILES N(C(CCSC)C(=O)OCC)C(=O)CCCCCCCCCC
SPLASH splash10-0pbc-9600000000-2626b351a2c4efe65dab
Synonyms 4-(methylthio)-2-(1-oxoundecylamino)butanoic acid ethyl ester Ethyl 4-methylsulfanyl-2-(undecanoylamino)butanoate
Wiley ID 1481573