| SpectraBase Spectrum ID |
BVFa3fbpXpF |
| Name |
9H-Xanthene-2-carboxylic acid, 7-chloro-1,3,6-trihydroxy-8-methyl-9-oxo- |
| CAS Registry Number |
131524-54-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H9ClO7 |
| InChI |
InChI=1S/C15H9ClO7/c1-4-9-7(3-6(18)12(4)16)23-8-2-5(17)10(15(21)22)14(20)11(8)13(9)19/h2-3,17-18,20H,1H3,(H,21,22) |
| InChIKey |
VVNHOYJYSOIAOP-UHFFFAOYSA-N |
| Molecular Weight |
336.683 g/mol |
| SMILES |
Oc1c(c(c2c(c1)Oc1cc(c(c(c1C2=O)C)Cl)O)O)C(=O)O |
| SPLASH |
splash10-0006-0090000000-68801530be6b174d726e |
| Source of Spectrum |
B-43-1754-13 |
| Synonyms |
7-Chloro-1,3,6-trihydroxy-8-methyl-9-oxo-9H-xanthen-2-carboxylic acid
7-chloro-1,3,6-trihydroxy-8-methyl-9-oxo-9H-xanthene-2-carboxylic acid |
| Wiley ID |
1332112 |
