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(E)-3,4,4-Trimethyl-2-phenylthio-2-pentene

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(E)-3,4,4-Trimethyl-2-phenylthio-2-pentene
SpectraBase Compound ID CWETMX7Pq21
InChI InChI=1S/C14H20S/c1-11(14(3,4)5)12(2)15-13-9-7-6-8-10-13/h6-10H,1-5H3/b12-11+
InChIKey NBXYIIWAXOECES-VAWYXSNFSA-N
Mol Weight 220.37 g/mol
Molecular Formula C14H20S
Exact Mass 220.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JWVcElGcf3
Name (E)-3,4,4-Trimethyl-2-phenylthio-2-pentene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.128571818 u
Formula C14H20S
InChI InChI=1S/C14H20S/c1-11(14(3,4)5)12(2)15-13-9-7-6-8-10-13/h6-10H,1-5H3/b12-11+
InChIKey NBXYIIWAXOECES-VAWYXSNFSA-N
Molecular Weight 220.374 g/mol
SMILES C(\C(=C/(SC1=CC=CC=C1)C)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921935