| SpectraBase Spectrum ID |
KIX7z34XLJi |
| Name |
Dimethylmalonic acid, 4-acetylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c1-5-19-13(17)15(3,4)14(18)20-12-8-6-11(7-9-12)10(2)16/h6-9H,5H2,1-4H3 |
| InChIKey |
MFTKKTMKNWWZRH-UHFFFAOYSA-N |
| SMILES |
C(C1=CC=C(OC(C(C(OCC)=O)(C)C)=O)C=C1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963101 |
