| SpectraBase Spectrum ID |
LqG1bOYEgnz |
| Name |
1,3-Benzenedicarboxylic acid, 2-methyl-, dimethyl ester |
| Alternate Name(s) |
2-methylbenzene-1,3-dicarboxylic acid dimethyl ester
dimethyl 2-methylbenzene-1,3-dicarboxylate
Dimethyl 2-methylisophthalate |
| CAS Registry Number |
28269-31-0 |
| Comments |
Removed - expert review - strange loss (m/z 194) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-7-8(10(12)14-2)5-4-6-9(7)11(13)15-3/h4-6H,1-3H3 |
| InChIKey |
UPGQXOHLGDXBJJ-UHFFFAOYSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
c1(c(C(=O)OC)cccc1C(=O)OC)C |
| SPLASH |
splash10-004m-0910000000-caa7332f89610e3a5b6f |
| Source of Spectrum |
B-43-1787-16 |
| Wiley ID |
1206574 |
