| SpectraBase Spectrum ID |
DARCifjLAkO |
| Name |
5-Hydroxy-6-phenylhexanoic acid, D-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| InChI |
InChI=1S/C12H14O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey |
VZQPTDYLIIYDTH-UHFFFAOYSA-N |
| Molecular Weight |
190.242 g/mol |
| SMILES |
C1=C(CC2CCCC(O2)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942034 |
