| SpectraBase Spectrum ID |
F8qHXpvSuSz |
| Name |
(3Z)-6,7-Dimethyl-3-(p-tolylsulfonylmethylene)oct-6-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.144615804 u |
| Formula |
C18H24O3S |
| InChI |
InChI=1S/C18H24O3S/c1-13(2)15(4)8-9-17(16(5)19)12-22(20,21)18-10-6-14(3)7-11-18/h6-7,10-12H,8-9H2,1-5H3/b17-12- |
| InChIKey |
HCWPIHJYYWFCPC-ATVHPVEESA-N |
| Molecular Weight |
320.447 g/mol |
| SMILES |
C(\C(=C/S(C1=CC=C(C=C1)C)(=O)=O)CCC(=C(C)C)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974546 |
