| SpectraBase Spectrum ID |
8O7IWFvG65t |
| Name |
Benzoic acid, 6-(bromomethyl)-2,4-dihydroxy-3-methyl-, methyl ester |
| Alternate Name(s) |
methyl 6-(bromomethyl)-2,4-dihydroxy-3-methylbenzoate |
| CAS Registry Number |
114973-02-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H11BrO4 |
| InChI |
InChI=1S/C10H11BrO4/c1-5-7(12)3-6(4-11)8(9(5)13)10(14)15-2/h3,12-13H,4H2,1-2H3 |
| InChIKey |
JRSGVMVETHDNJS-UHFFFAOYSA-N |
| Molecular Weight |
275.098 g/mol |
| SMILES |
Oc1cc(c(c(c1C)O)C(=O)OC)CBr |
| SPLASH |
splash10-03di-0920000000-a8c780c4b741dcfeba9c |
| Source of Spectrum |
B-40-1847-20 |
| Wiley ID |
1277619 |
