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Butanoic acid, 2-(4,5,6,7-tetrahydro-2-methyl-3-benzofuroylamino)-4-methylthio-
SpectraBase Compound ID 1Lm2udbgZWq
InChI InChI=1S/C15H21NO4S/c1-9-13(10-5-3-4-6-12(10)20-9)14(17)16-11(15(18)19)7-8-21-2/h11H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKey IOYNVVSWFGMSNZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C15H21NO4S
Exact Mass 311.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LF3grBkWPF
Name Butanoic acid, 2-(4,5,6,7-tetrahydro-2-methyl-3-benzofuroylamino)-4-methylthio-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4S
InChI InChI=1S/C15H21NO4S/c1-9-13(10-5-3-4-6-12(10)20-9)14(17)16-11(15(18)19)7-8-21-2/h11H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKey IOYNVVSWFGMSNZ-UHFFFAOYSA-N
Molecular Weight 311.396 g/mol
SMILES N(C(c1c(oc2c1CCCC2)C)=O)C(C(=O)O)CCSC
SPLASH splash10-03di-2911000000-d7d257f1b9e685318664
Synonyms 2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]-4-(methylthio)butyric acid 2-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid 4-Methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]butanoic acid 4-Methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]butanoic acid 4-Methylsulfanyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]butanoic acid Methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]homocysteine
Wiley ID 1455567