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2-([(E)-(4-tert-Butylphenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID DU8drRSu2Cs
InChI InChI=1S/C20H22N2S/c1-20(2,3)15-10-8-14(9-11-15)13-22-19-17(12-21)16-6-4-5-7-18(16)23-19/h8-11,13H,4-7H2,1-3H3/b22-13+
InChIKey YWJUWNSDJZUZOJ-LPYMAVHISA-N
Mol Weight 322.47 g/mol
Molecular Formula C20H22N2S
Exact Mass 322.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnjRjtZ9kqd
Name 2-([(E)-(4-tert-Butylphenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Registry Number 331246-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2S
InChI InChI=1S/C20H22N2S/c1-20(2,3)15-10-8-14(9-11-15)13-22-19-17(12-21)16-6-4-5-7-18(16)23-19/h8-11,13H,4-7H2,1-3H3/b22-13+
InChIKey YWJUWNSDJZUZOJ-LPYMAVHISA-N
Molecular Weight 322.470 g/mol
SMILES c1(c(sc2c1CCCC2)\N=C\c1ccc(C(C)(C)C)cc1)C#N
SPLASH splash10-00di-3529000000-61457352958c586e81e8
Source of Spectrum AD-0-2532-0
Synonyms 2-[(E)-(4-tert-butylbenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-[(E)-(4-tert-butylphenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-tert-butylbenzylidenamino)-
Wiley ID 1426320