| SpectraBase Spectrum ID |
1nVQIPgrZLS |
| Name |
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dimethoxy-3,4-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-7-8(2)17-13(14)12-10(7)5-9(15-3)6-11(12)16-4/h5-8H,1-4H3/t7-,8+/m1/s1 |
| InChIKey |
DIADRSXVCZFRDA-SFYZADRCSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C=12C(O[C@]([C@](C2=CC(=CC1OC)OC)(C)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939703 |
