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Methyl 4-((E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl)benzoate
SpectraBase Compound ID 51v6JW52YGE
InChI InChI=1S/C18H16N2O2S/c1-22-18(21)13-8-6-12(7-9-13)11-20-17-15(10-19)14-4-2-3-5-16(14)23-17/h6-9,11H,2-5H2,1H3/b20-11+
InChIKey YLGDPOWWWKMZEN-RGVLZGJSSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hrErpGenfd
Name Methyl 4-((E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl)benzoate
Alternate Name(s) 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoic acid methyl ester 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoic acid methyl ester Benzothiophene-3-carbonitrole, 4,5,6,7-tetrahydro-2-(4-methoxycarbonylbenzylidenamino)- Methyl 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoate Methyl 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoate
CAS Registry Number 331243-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c1-22-18(21)13-8-6-12(7-9-13)11-20-17-15(10-19)14-4-2-3-5-16(14)23-17/h6-9,11H,2-5H2,1H3/b20-11+
InChIKey YLGDPOWWWKMZEN-RGVLZGJSSA-N
Molecular Weight 324.398 g/mol
SMILES c1(c(sc2c1CCCC2)\N=C\c1ccc(C(=O)OC)cc1)C#N
SPLASH splash10-00di-7968000000-f3b5679895317ea3ffb6
Source of Spectrum AD-0-2532-0
Wiley ID 1426505