| SpectraBase Spectrum ID |
DdycmMa88vg |
| Name |
Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl- |
| CAS Registry Number |
113689-54-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10O5 |
| InChI |
InChI=1S/C10H10O5/c1-4-6(3-11)8(12)5(2)9(13)7(4)10(14)15/h3,12-13H,1-2H3,(H,14,15) |
| InChIKey |
IVWDXZQYWSLMOT-UHFFFAOYSA-N |
| Molecular Weight |
210.185 g/mol |
| SMILES |
Oc1c(c(c(C(=O)O)c(c1C=O)C)O)C |
| SPLASH |
splash10-03di-0950000000-7a1258c13fb43b0b8ddf |
| Source of Spectrum |
B-40-2027-12 |
| Synonyms |
3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid
5-formyl-2,4-dihydroxy-3,6-dimethylbenzoic acid
3-methanoyl-2,5-dimethyl-4,6-bis(oxidanyl)benzoic acid |
| Wiley ID |
1208721 |
