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(Z)-6-[(4-Methylphenyl)sulfonyl]-5-dodecen-7-yne
SpectraBase Compound ID AJlouHSB0Bo
InChI InChI=1S/C19H26O2S/c1-4-6-8-10-12-18(11-9-7-5-2)22(20,21)19-15-13-17(3)14-16-19/h11,13-16H,4-9H2,1-3H3/b18-11-
InChIKey SPDQUCKYAIDFJR-WQRHYEAKSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8mbG3M22sXB
Name (Z)-6-[(4-Methylphenyl)sulfonyl]-5-dodecen-7-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.165351249 u
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-4-6-8-10-12-18(11-9-7-5-2)22(20,21)19-15-13-17(3)14-16-19/h11,13-16H,4-9H2,1-3H3/b18-11-
InChIKey SPDQUCKYAIDFJR-WQRHYEAKSA-N
Molecular Weight 318.475 g/mol
SMILES CCCC\C=C\(C#CCCCC)S(=O)(=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820235