| SpectraBase Spectrum ID |
57LfTYvlNw |
| Name |
2-bromanyl-5-tert-butyl-benzene-1,3-dicarboxylic acid |
| Alternate Name(s) |
2-bromo-5-tert-butyl-benzene-1,3-dicarboxylic acid
2-bromo-5-tert-butyl-isophthalic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13BrO4 |
| InChI |
InChI=1S/C12H13BrO4/c1-12(2,3)6-4-7(10(14)15)9(13)8(5-6)11(16)17/h4-5H,1-3H3,(H,14,15)(H,16,17) |
| InChIKey |
OZAYOMJBHRYFOQ-UHFFFAOYSA-N |
| Molecular Weight |
301.136 g/mol |
| SMILES |
OC(c1c(c(C(=O)O)cc(c1)C(C)(C)C)Br)=O |
| SPLASH |
splash10-000i-0092000000-5ab24d2d81d61fc76354 |
| Source of Spectrum |
F-56-48-12 |
| Wiley ID |
855474 |
