| SpectraBase Spectrum ID |
HPxwzEPVPuS |
| Name |
Mpbp-m (carboxy-deamino-oxo-) et P526 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-3-11(14)12(15)9-5-7-10(8-6-9)13(16)17-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
HCTODXPTJKNFSU-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C=1C=C(C=CC1C(=O)OCC)C(C(CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894147 |
