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7-Phenyl-tetrahydrobenzothienoazonine-3-carbonitrile
SpectraBase Compound ID CxuGYIYL7Ki
InChI InChI=1S/C21H18N2S/c22-15-16-9-10-21-19(14-16)18-11-13-23(17-6-2-1-3-7-17)12-5-4-8-20(18)24-21/h1-3,6-7,9-11,13-14H,4-5,8,12H2/b13-11-
InChIKey DUNOZQHVJNMDEY-QBFSEMIESA-N
Mol Weight 330.45 g/mol
Molecular Formula C21H18N2S
Exact Mass 330.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R2fMYvSa2J
Name 7-Phenyl-tetrahydrobenzothienoazonine-3-carbonitrile
CAS Registry Number 99659-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2S
InChI InChI=1S/C21H18N2S/c22-15-16-9-10-21-19(14-16)18-11-13-23(17-6-2-1-3-7-17)12-5-4-8-20(18)24-21/h1-3,6-7,9-11,13-14H,4-5,8,12H2/b13-11-
InChIKey DUNOZQHVJNMDEY-QBFSEMIESA-N
Molecular Weight 330.449 g/mol
SMILES c12c(sc3c2cc(C#N)cc3)CCCCN(\C=C/1)c1ccccc1
SPLASH splash10-001i-0098000000-8ad19330826b2c135a21
Source of Spectrum B-38-776-15
Synonyms 3-Phenyl-4,5,6,7-tetrahydro-3H-[1]benzothieno[3,2-d]azonine-11-carbonitrile
Wiley ID 1328162