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 |