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Benzo[b]thiophene-3-carboxylic acid, 2-hexanoylamino-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID Bm9ktZaqjrQ
InChI InChI=1S/C17H25NO3S/c1-3-5-6-11-14(19)18-16-15(17(20)21-4-2)12-9-7-8-10-13(12)22-16/h3-11H2,1-2H3,(H,18,19)
InChIKey NGWRUZNJNSJOPC-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 D3exkacJ8ql
Name Benzo[b]thiophene-3-carboxylic acid, 2-hexanoylamino-4,5,6,7-tetrahydro-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO3S
InChI InChI=1S/C17H25NO3S/c1-3-5-6-11-14(19)18-16-15(17(20)21-4-2)12-9-7-8-10-13(12)22-16/h3-11H2,1-2H3,(H,18,19)
InChIKey NGWRUZNJNSJOPC-UHFFFAOYSA-N
Molecular Weight 323.451 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(=O)CCCCC
SPLASH splash10-004i-1694000000-aad863a252f4d2836e70
Synonyms 2-(1-oxohexylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester 2-(caproylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(hexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1439037