| SpectraBase Spectrum ID |
DuBceIiQtre |
| Name |
2,2-Dimethyl-2,3-dihydro-4,5-dioxothiapyrano[2,3-C]-1-benzopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.050715417 u |
| Formula |
C14H12O3S |
| InChI |
InChI=1S/C14H12O3S/c1-14(2)7-9(15)11-12(18-14)8-5-3-4-6-10(8)17-13(11)16/h3-6H,7H2,1-2H3 |
| InChIKey |
SKSOYNNOOMEJSH-UHFFFAOYSA-N |
| Molecular Weight |
260.307 g/mol |
| SMILES |
C12=C(C=3C=CC=CC3OC2=O)SC(CC1=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813654 |
![2,2-Dimethyl-2,3-dihydro-4,5-dioxothiapyrano[2,3-c]-1-benzopyran](/api/spectrum/DuBceIiQtre/structure.png?h=300&w=458 "2,2-Dimethyl-2,3-dihydro-4,5-dioxothiapyrano[2,3-c]-1-benzopyran")
