| SpectraBase Spectrum ID |
5rwO4BoYoAP |
| Name |
Benzoic acid, 3,5-dihydroxy-2-methyl-4-(methyl-d3)- |
| CAS Registry Number |
89505-61-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7D3O4 |
| InChI |
InChI=1S/C9H10O4/c1-4-6(9(12)13)3-7(10)5(2)8(4)11/h3,10-11H,1-2H3,(H,12,13)/i2D3 |
| InChIKey |
AIAUYOHHTAUNNC-BMSJAHLVSA-N |
| Molecular Weight |
185.193 g/mol |
| SMILES |
Oc1c(c(C(=O)O)cc(c1C([2D])([2D])[2D])O)C |
| SPLASH |
splash10-0006-0900000000-42abf3ac441fcec09b7d |
| Source of Spectrum |
KC-1983-2748-0 |
| Synonyms |
3,5-Dihydroxy-2-methyl-4-[(2)H3]methylbenzoic acid |
| Wiley ID |
1178137 |
