| SpectraBase Spectrum ID |
LK8T5IzsWud |
| Name |
8-Hydroxy-6-methyl-3-(m-tolyl)-3,4-dihydro-isochroman-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.109944372 u |
| Formula |
C17H16O3 |
| InChI |
InChI=1S/C17H16O3/c1-10-4-3-5-12(6-10)15-9-13-7-11(2)8-14(18)16(13)17(19)20-15/h3-8,15,18H,9H2,1-2H3 |
| InChIKey |
FFZYBIPJQGZREH-UHFFFAOYSA-N |
| Molecular Weight |
268.312 g/mol |
| SMILES |
C1(C2=C(C=C(C=C2O)C)CC(O1)C=1C=C(C)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842735 |
