| SpectraBase Spectrum ID |
1Zi8raJzyTT |
| Name |
3.alpha.-Phenylthio-3.beta.-acetoxy-flavanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.092580230 u |
| Formula |
C23H18O4S |
| InChI |
InChI=1S/C23H18O4S/c1-16(24)27-23(28-18-12-6-3-7-13-18)21(25)19-14-8-9-15-20(19)26-22(23)17-10-4-2-5-11-17/h2-15,22H,1H3 |
| InChIKey |
AEGXAXMDOLWSAA-UHFFFAOYSA-N |
| Molecular Weight |
390.453 g/mol |
| SMILES |
C1=CC=C2C(=C1)OC(C(C2=O)(OC(=O)C)SC1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974005 |
