| SpectraBase Spectrum ID |
4Qk2A648clh |
| Name |
2-Hydroxy-2-(2,5-dimethoxyphenyl)cyclopentanone |
| 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/c1-16-9-5-6-11(17-2)10(8-9)13(15)7-3-4-12(13)14/h5-6,8,15H,3-4,7H2,1-2H3 |
| InChIKey |
JQDVDDJWBBEYAH-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C=1(C2(C(=O)CCC2)O)C(=CC=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833458 |
