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(-)-(R,E)-5-(N-butylsulfonyl)hept-3-ene

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

(-)-(R,E)-5-(N-butylsulfonyl)hept-3-ene
SpectraBase Compound ID 4s6Jsx5nBlc
InChI InChI=1S/C11H22O2S/c1-4-7-9-11(6-3)14(12,13)10-8-5-2/h7,9,11H,4-6,8,10H2,1-3H3/b9-7+/t11-/m1/s1
InChIKey IKSMKLXOXMYKFW-MXMFLMJRSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2hqvMatAC2s
Name (-)-(R,E)-5-(N-butylsulfonyl)hept-3-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.134051120 u
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-4-7-9-11(6-3)14(12,13)10-8-5-2/h7,9,11H,4-6,8,10H2,1-3H3/b9-7+/t11-/m1/s1
InChIKey IKSMKLXOXMYKFW-MXMFLMJRSA-N
Molecular Weight 218.355 g/mol
SMILES [C@@](S(=O)(=O)CCCC)(\C=C\CC)(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971728