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2-Methyl-5-(4-methylpent-4-en-2-ynylsulfonyl)pent-1-en-3-yne

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

2-Methyl-5-(4-methylpent-4-en-2-ynylsulfonyl)pent-1-en-3-yne
SpectraBase Compound ID dirCEobvYr
InChI InChI=1S/C12H14O2S/c1-11(2)7-5-9-15(13,14)10-6-8-12(3)4/h1,3,9-10H2,2,4H3
InChIKey UQPAYUSIUOGOJG-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4fNk1yKhJrG
Name 2-Methyl-5-(4-methylpent-4-en-2-ynylsulfonyl)pent-1-en-3-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.071450863 u
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-11(2)7-5-9-15(13,14)10-6-8-12(3)4/h1,3,9-10H2,2,4H3
InChIKey UQPAYUSIUOGOJG-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C(S(=O)(=O)CC#CC(=C)C)C#CC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960193