| SpectraBase Spectrum ID |
Cruu2XcwhPd |
| Name |
2-Hydroxy-3-keto-2-phenyl-adipic acid O6-ethyl ester O1-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.110338294 u |
| Formula |
C15H18O6 |
| InChI |
InChI=1S/C15H18O6/c1-3-21-13(17)10-9-12(16)15(19,14(18)20-2)11-7-5-4-6-8-11/h4-8,19H,3,9-10H2,1-2H3 |
| InChIKey |
VVKHYBFTOOFOKZ-UHFFFAOYSA-N |
| SMILES |
C(C(C(CCC(=O)OCC)=O)(C=1C=CC=CC1)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935119 |
