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(E)-6-Methyl-6-tosyl-4-hepten-3-ol

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

(E)-6-Methyl-6-tosyl-4-hepten-3-ol
SpectraBase Compound ID Hg2M3hw97YV
InChI InChI=1S/C15H22O3S/c1-5-13(16)10-11-15(3,4)19(17,18)14-8-6-12(2)7-9-14/h6-11,13,16H,5H2,1-4H3/b11-10+
InChIKey YUWFDEQJMJKDOG-ZHACJKMWSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KyshPAWmiMm
Name (E)-6-Methyl-6-tosyl-4-hepten-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.128965739 u
Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-5-13(16)10-11-15(3,4)19(17,18)14-8-6-12(2)7-9-14/h6-11,13,16H,5H2,1-4H3/b11-10+
InChIKey YUWFDEQJMJKDOG-ZHACJKMWSA-N
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(\C=C\C(O)CC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851222