| SpectraBase Spectrum ID |
BVCiPNXiO7i |
| Name |
Malonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.068473481 u |
| Formula |
C13H12O5 |
| InChI |
InChI=1S/C13H12O5/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7,14H,1-2H3 |
| InChIKey |
JPPNMIXVIYOENU-UHFFFAOYSA-N |
| Molecular Weight |
248.234 g/mol |
| SMILES |
C(=C1C(=O)OC(OC1=O)(C)C)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978647 |
