| SpectraBase Spectrum ID |
7wDrAeSM7KW |
| Name |
beta-(beta-Hydroxy-alpha-methoxy-p-methylstyryl)thiocinnamic acid, delta-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.087100927 u |
| Formula |
C19H16O2S |
| InChI |
InChI=1S/C19H16O2S/c1-13-8-10-15(11-9-13)18-19(20-2)16(12-17(22)21-18)14-6-4-3-5-7-14/h3-12H,1-2H3 |
| InChIKey |
XTIUXHKRJCMHBT-UHFFFAOYSA-N |
| Molecular Weight |
308.395 g/mol |
| SMILES |
C=1C(=CC=CC1)C=1C(=C(OC(C1)=S)C=1C=CC(=CC1)C)OC |
| Spectrum/Structure Validation Score (Raman) |
0.893105 |
