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Trans-1-(neophylsulfonyl)-3-pentene

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Trans-1-(neophylsulfonyl)-3-pentene
SpectraBase Compound ID 43ezMzIzSgN
InChI InChI=1S/C15H22O2S/c1-4-5-9-12-18(16,17)13-15(2,3)14-10-7-6-8-11-14/h4-8,10-11H,9,12-13H2,1-3H3/b5-4+
InChIKey PFRJELCLHXZXFM-SNAWJCMRSA-N
Mol Weight 266.4 g/mol
Molecular Formula C15H22O2S
Exact Mass 266.134051 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5d1s2R9yhZi
Name Trans-1-(neophylsulfonyl)-3-pentene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.134051120 u
Formula C15H22O2S
InChI InChI=1S/C15H22O2S/c1-4-5-9-12-18(16,17)13-15(2,3)14-10-7-6-8-11-14/h4-8,10-11H,9,12-13H2,1-3H3/b5-4+
InChIKey PFRJELCLHXZXFM-SNAWJCMRSA-N
Molecular Weight 266.399 g/mol
SMILES C(S(=O)(=O)CC\C=C\C)C(C1=CC=CC=C1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92551