| SpectraBase Spectrum ID |
K6Y6AMfkiGU |
| Name |
(alpha,alpha-Dimethylbenzyl)malonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-5-19-14(17)13(15(18)20-6-2)16(3,4)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3 |
| InChIKey |
SRIDQAOHTPULGP-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C=1C(=CC=CC1)C(C(C(OCC)=O)C(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.989845 |
