| SpectraBase Spectrum ID |
9SkiLvvt1EM |
| Name |
6-Methoxy-2,2-dimethyl-7-(methylthio)-3,4-dihydro-2H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.082015546 u |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-13(2)7-9(14)8-5-11(15-3)12(17-4)6-10(8)16-13/h5-6H,7H2,1-4H3 |
| InChIKey |
WZNWVPPAKLCQHJ-UHFFFAOYSA-N |
| Molecular Weight |
252.328 g/mol |
| SMILES |
C1(CC(C=2C=C(C(=CC2O1)SC)OC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883148 |
