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2-([(E)-(3-Iodophenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 3pTWGjYblnc
InChI InChI=1S/C16H13IN2S/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h3-5,8,10H,1-2,6-7H2/b19-10+
InChIKey GJYKBVHKRNOJSH-VXLYETTFSA-N
Mol Weight 392.26 g/mol
Molecular Formula C16H13IN2S
Exact Mass 391.984415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5EvaRYgNxJ
Name 2-([(E)-(3-Iodophenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Registry Number 330682-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IN2S
InChI InChI=1S/C16H13IN2S/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h3-5,8,10H,1-2,6-7H2/b19-10+
InChIKey GJYKBVHKRNOJSH-VXLYETTFSA-N
Molecular Weight 392.258 g/mol
SMILES c12c(c(\N=C\c3cc(ccc3)I)sc1CCCC2)C#N
SPLASH splash10-0006-0009000000-0cf9c52ebe102b038219
Synonyms 2-[(3-Iodo-benzylidene)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile 2-[(E)-(3-iodanylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-[(E)-(3-iodobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-[(E)-(3-iodophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
Wiley ID 1459301