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4-(1'-Phenylthiocycloprop-1'-yl)hept-3-ene

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

4-(1'-Phenylthiocycloprop-1'-yl)hept-3-ene
SpectraBase Compound ID BAMVevREkzf
InChI InChI=1S/C16H22S/c1-3-8-14(9-4-2)16(12-13-16)17-15-10-6-5-7-11-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b14-8+
InChIKey VYHKZBACUDTOPX-RIYZIHGNSA-N
Mol Weight 246.41 g/mol
Molecular Formula C16H22S
Exact Mass 246.144222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrVBwIYP8Z1
Name 4-(1'-Phenylthiocycloprop-1'-yl)hept-3-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.144221882 u
Formula C16H22S
InChI InChI=1S/C16H22S/c1-3-8-14(9-4-2)16(12-13-16)17-15-10-6-5-7-11-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b14-8+
InChIKey VYHKZBACUDTOPX-RIYZIHGNSA-N
Molecular Weight 246.412 g/mol
SMILES C1(CC1)(SC=1C=CC=CC1)\C(=C\CC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876793