| SpectraBase Spectrum ID |
G73ai0xHXnz |
| Name |
3-chloranyl-2,5-dimethyl-4,6-bis(oxidanyl)benzoic acid |
| Alternate Name(s) |
5-chloro-2,4-dihydroxy-3,6-dimethyl-benzoic acid |
| CAS Registry Number |
81050-81-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9ClO4 |
| InChI |
InChI=1S/C9H9ClO4/c1-3-5(9(13)14)7(11)4(2)8(12)6(3)10/h11-12H,1-2H3,(H,13,14) |
| InChIKey |
SRBSHDDHIHGIOX-UHFFFAOYSA-N |
| Molecular Weight |
216.620 g/mol |
| SMILES |
Oc1c(c(c(C(=O)O)c(c1Cl)C)O)C |
| SPLASH |
splash10-00kb-0890000000-e2ce02dfbdf23d8c988f |
| Source of Spectrum |
B-40-1585-12 |
| Wiley ID |
1215011 |
