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1-Ethenyl-7-methylthio-7-phenylbicyclo[4.1.0]heptane

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

1-Ethenyl-7-methylthio-7-phenylbicyclo[4.1.0]heptane
SpectraBase Compound ID H3a3093kIPV
InChI InChI=1S/C16H20S/c1-3-15-12-8-7-11-14(15)16(15,17-2)13-9-5-4-6-10-13/h3-6,9-10,14H,1,7-8,11-12H2,2H3
InChIKey ICHQZPYUQMFPFY-UHFFFAOYSA-N
Mol Weight 244.4 g/mol
Molecular Formula C16H20S
Exact Mass 244.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9TictMFF6KT
Name 1-Ethenyl-7-methylthio-7-phenylbicyclo[4.1.0]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.128571818 u
Formula C16H20S
InChI InChI=1S/C16H20S/c1-3-15-12-8-7-11-14(15)16(15,17-2)13-9-5-4-6-10-13/h3-6,9-10,14H,1,7-8,11-12H2,2H3
InChIKey ICHQZPYUQMFPFY-UHFFFAOYSA-N
Molecular Weight 244.396 g/mol
SMILES C12(C(C3=CC=CC=C3)(SC)C1CCCC2)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892746