| SpectraBase Spectrum ID |
9rP7h7Q7NYi |
| Name |
2,3-Dihydro-6-(3',4'-dimethoxyphenyl)-2-phenylthiopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.097665611 u |
| Formula |
C19H18O3S |
| InChI |
InChI=1S/C19H18O3S/c1-21-16-9-8-14(10-17(16)22-2)19-12-15(20)11-18(23-19)13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3 |
| InChIKey |
MWBIJFCZUDTJCT-UHFFFAOYSA-N |
| Molecular Weight |
326.410 g/mol |
| SMILES |
C=1(SC(C=2C=CC=CC2)CC(C1)=O)C=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825301 |
