| SpectraBase Spectrum ID |
HA4RG0C0vaL |
| Name |
2,3-cis/Trans-4'-methoxy-3-(phenylsulfanyl)flavanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.097665611 u |
| Formula |
C22H18O3S |
| InChI |
InChI=1S/C22H18O3S/c1-24-16-13-11-15(12-14-16)21-22(26-17-7-3-2-4-8-17)20(23)18-9-5-6-10-19(18)25-21/h2-14,21-22H,1H3 |
| InChIKey |
HFZVWXTWUIXGRL-UHFFFAOYSA-N |
| Molecular Weight |
362.443 g/mol |
| SMILES |
C1(C(C2=CC=CC=C2OC1C1=CC=C(C=C1)OC)=O)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923495 |
