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5-Methyl-1-phenylthiospiro(3.5)non-1-ene

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

5-Methyl-1-phenylthiospiro(3.5)non-1-ene
SpectraBase Compound ID 4ZgMA60FfkI
InChI InChI=1S/C16H20S/c1-13-7-5-6-11-16(13)12-10-15(16)17-14-8-3-2-4-9-14/h2-4,8-10,13H,5-7,11-12H2,1H3
InChIKey QZOYPEMFEIPTJF-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 AaaHoHNnxbt
Name 5-Methyl-1-phenylthiospiro(3.5)non-1-ene
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/c1-13-7-5-6-11-16(13)12-10-15(16)17-14-8-3-2-4-9-14/h2-4,8-10,13H,5-7,11-12H2,1H3
InChIKey QZOYPEMFEIPTJF-UHFFFAOYSA-N
Molecular Weight 244.396 g/mol
SMILES C=1(C2(C(C)CCCC2)CC1)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819252