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Butyric acid, 4-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamoyl)-
SpectraBase Compound ID 6kXoXE4wksz
InChI InChI=1S/C15H18N2O3S/c1-9-5-6-10-11(8-16)15(21-12(10)7-9)17-13(18)3-2-4-14(19)20/h9H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKey DMERHWZDFCEHJK-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C15H18N2O3S
Exact Mass 306.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVsUhiVY6hM
Name Butyric acid, 4-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamoyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O3S
InChI InChI=1S/C15H18N2O3S/c1-9-5-6-10-11(8-16)15(21-12(10)7-9)17-13(18)3-2-4-14(19)20/h9H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKey DMERHWZDFCEHJK-UHFFFAOYSA-N
Molecular Weight 306.380 g/mol
SMILES N(C(CCCC(O)=O)=O)c1c(c2CCC(Cc2s1)C)C#N
SPLASH splash10-0006-7900000000-2c1b448d895211304fee
Source of Spectrum AD-0-2532-0
Synonyms 5-[(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-5-oxopentanoic acid 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valeric acid 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoic acid
Wiley ID 1431096