| SpectraBase Spectrum ID |
LEOrvZ5uSs3 |
| Name |
2-Hydroxy-3-oxo-2-phenylpimelic acid 1-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.094688229 u |
| Formula |
C14H16O6 |
| InChI |
InChI=1S/C14H16O6/c1-20-13(18)14(19,10-6-3-2-4-7-10)11(15)8-5-9-12(16)17/h2-4,6-7,19H,5,8-9H2,1H3,(H,16,17) |
| InChIKey |
LIHLBMUUCIBHDG-UHFFFAOYSA-N |
| SMILES |
C(C(C(CCCC(=O)O)=O)(C=1C=CC=CC1)O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85566 |
