| SpectraBase Spectrum ID |
H4vBuoAAYRw |
| Name |
4H-Thiopyran-4-one, 2,6-bis(4-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.082015546 u |
| Formula |
C19H16O3S |
| InChI |
InChI=1S/C19H16O3S/c1-21-16-7-3-13(4-8-16)18-11-15(20)12-19(23-18)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3 |
| InChIKey |
UAXGKFIFQXHHTG-UHFFFAOYSA-N |
| Molecular Weight |
324.394 g/mol |
| SMILES |
COC1=CC=C(C=C1)C1=CC(=O)C=C(S1)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827506 |
