| SpectraBase Spectrum ID |
8xZoRgPPxIc |
| Name |
2H-Thiopyrano[2,3,4-kl]xanthene-1-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.050715417 u |
| Formula |
C17H12O3S |
| InChI |
InChI=1S/C17H12O3S/c1-19-17(18)11-9-21-14-8-4-7-13-16(14)15(11)10-5-2-3-6-12(10)20-13/h2-8H,9H2,1H3 |
| InChIKey |
MFOJTSXVCIMZOR-UHFFFAOYSA-N |
| Molecular Weight |
296.340 g/mol |
| SMILES |
C12=C(C(=O)OC)CSC3=C2C(=CC=C3)OC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951942 |
![2H-Thiopyrano[2,3,4-kl]xanthene-1-carboxylic acid, methyl ester](/api/spectrum/8xZoRgPPxIc/structure.png?h=300&w=458 "2H-Thiopyrano[2,3,4-kl]xanthene-1-carboxylic acid, methyl ester")
