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2-(5-CHLOROPENTANOYLAMINO)-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID Ee8EO7j2GAz
InChI InChI=1S/C16H22ClNO3S/c1-2-21-16(20)14-11-7-3-4-8-12(11)22-15(14)18-13(19)9-5-6-10-17/h2-10H2,1H3,(H,18,19)
InChIKey URPMKSZCMCLNCD-UHFFFAOYSA-N
Mol Weight 343.87 g/mol
Molecular Formula C16H22ClNO3S
Exact Mass 343.100892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KekcFvEAxGg
Name Ethyl 2-[(5-chloropentanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s) 2-(5-Chloropentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester 2-[(5-chloro-1-oxopentyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(5-chloro-1-oxopentylamino)-, ethyl ester Ethyl 2-(5-chloranylpentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-(5-chloropentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Registry Number 331760-62-4
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Formula C16H22ClNO3S
InChI InChI=1S/C16H22ClNO3S/c1-2-21-16(20)14-11-7-3-4-8-12(11)22-15(14)18-13(19)9-5-6-10-17/h2-10H2,1H3,(H,18,19)
InChIKey URPMKSZCMCLNCD-UHFFFAOYSA-N
Molecular Weight 343.869 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(=O)CCCCCl
SPLASH splash10-004i-6950000000-6fd5768e15cc5082dda8
Source of Spectrum AD-0-2532-0
Wiley ID 1426636