| SpectraBase Spectrum ID |
8JRlvAojOpE |
| Name |
Chrysophanic acid |
| CAS Registry Number |
481-74-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
254.057908798 u |
| Formula |
C15H10O4 |
| InChI |
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| InChIKey |
LQGUBLBATBMXHT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.241 g/mol |
| Nominal Mass |
254 u |
| Quality |
949 |
| Retention Index |
1929 |
| SMILES |
OC=1C2=C(C(C=3C(=C(C=C(C3)C)O)C2=O)=O)C=CC1 |
| SPLASH |
splash10-0udi-2490000000-24956076323dfb550ba1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,8-Dihydroxy-3-methyl-9,10-anthraquinone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018323 |
