| SpectraBase Spectrum ID |
Gxxuyg37Zyo |
| Name |
3-Phenyl-2-methyl-5-hydroxy-4H-benzopyran-4-one - 7-o-thiocarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.087829201 u |
| Formula |
C19H17NO4S |
| InChI |
InChI=1S/C19H17NO4S/c1-11-16(12-7-5-4-6-8-12)18(22)17-14(21)9-13(10-15(17)23-11)24-19(25)20(2)3/h4-10,21H,1-3H3 |
| InChIKey |
OCUHPIWQBZDNMJ-UHFFFAOYSA-N |
| Molecular Weight |
355.408 g/mol |
| SMILES |
C1(C=2C(=CC(=CC2O)OC(=S)N(C)C)OC(=C1C1=CC=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816759 |
