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cis-4-Vinyl-3,4-dihydro-2H-benzo[b]thiine-2-carbonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

cis-4-Vinyl-3,4-dihydro-2H-benzo[b]thiine-2-carbonitrile
SpectraBase Compound ID HIxGMvMIiuC
InChI InChI=1S/C12H11NS/c1-2-9-7-10(8-13)14-12-6-4-3-5-11(9)12/h2-6,9-10H,1,7H2/t9-,10-/m1/s1
InChIKey VCMGNKFFSKNHSN-NXEZZACHSA-N
Mol Weight 201.29 g/mol
Molecular Formula C12H11NS
Exact Mass 201.061221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BpT7OLQRztV
Name cis-4-Vinyl-3,4-dihydro-2H-benzo[B]thiine-2-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.061220532 u
Formula C12H11NS
InChI InChI=1S/C12H11NS/c1-2-9-7-10(8-13)14-12-6-4-3-5-11(9)12/h2-6,9-10H,1,7H2/t9-,10-/m1/s1
InChIKey VCMGNKFFSKNHSN-NXEZZACHSA-N
Molecular Weight 201.287 g/mol
SMILES C=12S[C@](C[C@](C2=CC=CC1)(C=C)[H])(C#N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929227