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(E)-2-methyl-3-(phenylmethylsulfanyl)prop-2-enenitrile

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(E)-2-methyl-3-(phenylmethylsulfanyl)prop-2-enenitrile
SpectraBase Compound ID 7mG5vDF2RJ2
InChI InChI=1S/C11H11NS/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3/b10-8+
InChIKey FANMQPDUYHEBKO-CSKARUKUSA-N
Mol Weight 189.28 g/mol
Molecular Formula C11H11NS
Exact Mass 189.061221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kee461wf78z
Name (E)-2-Methyl-3-(phenylmethylsulfanyl)prop-2-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.061220532 u
Formula C11H11NS
InChI InChI=1S/C11H11NS/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3/b10-8+
InChIKey FANMQPDUYHEBKO-CSKARUKUSA-N
Molecular Weight 189.276 g/mol
SMILES C(#N)\C(=C\SCC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880892