| SpectraBase Spectrum ID |
JIkRizwiSMS |
| Name |
Danthron |
| CAS Registry Number |
117-10-2 |
| Classification |
Purgative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
240.042258734 u |
| Formula |
C14H8O4 |
| InChI |
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H |
| InChIKey |
QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
240.214 g/mol |
| Nominal Mass |
240 u |
| Quality |
995 |
| Retention Index |
1829 |
| SMILES |
OC=1C2=C(C(C=3C(=C(C=CC3)O)C2=O)=O)C=CC1 |
| SPLASH |
splash10-0006-3690000000-9b7d149a27c31a176f7f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,8-Dihydroxyanthracene-9,10-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000849 |
