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1-[(E)-hex-1-enyl]sulfonyldodecane

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

1-[(E)-hex-1-enyl]sulfonyldodecane
SpectraBase Compound ID LnISIng3BeZ
InChI InChI=1S/C18H36O2S/c1-3-5-7-9-10-11-12-13-14-16-18-21(19,20)17-15-8-6-4-2/h15,17H,3-14,16,18H2,1-2H3/b17-15+
InChIKey BSKRULCVNUIFJJ-BMRADRMJSA-N
Mol Weight 316.5 g/mol
Molecular Formula C18H36O2S
Exact Mass 316.243602 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55rsznHpvpY
Name 1-[(E)-hex-1-Enyl]sulfonyldodecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.243601571 u
Formula C18H36O2S
InChI InChI=1S/C18H36O2S/c1-3-5-7-9-10-11-12-13-14-16-18-21(19,20)17-15-8-6-4-2/h15,17H,3-14,16,18H2,1-2H3/b17-15+
InChIKey BSKRULCVNUIFJJ-BMRADRMJSA-N
Molecular Weight 316.544 g/mol
SMILES C(\C=C\S(=O)(=O)CCCCCCCCCCCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835061