SpectraBase Spectrum ID |
IBD6YGExC4q |
Name |
2-(3,5-Dimethylbenzyl)malonic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H14O4 |
InChI |
InChI=1S/C12H14O4/c1-7-3-8(2)5-9(4-7)6-10(11(13)14)12(15)16/h3-5,10H,6H2,1-2H3,(H,13,14)(H,15,16) |
InChIKey |
LSWREXILYPKLCY-UHFFFAOYSA-N |
Literature Reference DOI |
10.1021/ol702226j |
Molecular Weight |
222.240 g/mol |
SMILES |
OC(C(C(=O)O)Cc1cc(C)cc(c1)C)=O |
SPLASH |
splash10-00pi-2910000000-6ae3c7dedfe4357053df |
Source of Spectrum |
A1-9-4659/SMS18-arb10 |
Wiley ID |
1758774 |