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3-(Phenylthio)-2-[(3',4'-methylenedioxy)phenyl]-1,3-butadiene

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

3-(Phenylthio)-2-[(3',4'-methylenedioxy)phenyl]-1,3-butadiene
SpectraBase Compound ID InCCv5colEr
InChI InChI=1S/C17H14O2S/c1-12(13(2)20-15-6-4-3-5-7-15)14-8-9-16-17(10-14)19-11-18-16/h3-10H,1-2,11H2
InChIKey TVRWOVLXVLEJFA-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C17H14O2S
Exact Mass 282.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9LI11OyGq0e
Name 3-(Phenylthio)-2-[(3',4'-methylenedioxy)phenyl]-1,3-butadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.071450863 u
Formula C17H14O2S
InChI InChI=1S/C17H14O2S/c1-12(13(2)20-15-6-4-3-5-7-15)14-8-9-16-17(10-14)19-11-18-16/h3-10H,1-2,11H2
InChIKey TVRWOVLXVLEJFA-UHFFFAOYSA-N
SMILES C(C(C=1C=C2C(OCO2)=CC1)=C)(SC1=CC=CC=C1)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930535