| SpectraBase Spectrum ID |
8JsX31oqAXw |
| Name |
Trisalicylate |
| CAS Registry Number |
5981-18-0 |
| Classification |
Pharmaceutical drug, analgesic, antirheumatic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
360.063388100 u |
| Formula |
C21H12O6 |
| InChI |
InChI=1S/C21H12O6/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H |
| InChIKey |
KYLIMUJRJDIPPF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
360.321 g/mol |
| Nominal Mass |
360 u |
| Quality |
988 |
| Retention Index |
2734 |
| SMILES |
C=12C(OC(C=3C(OC(C4=C(OC2=O)C=CC=C4)=O)=CC=CC3)=O)=CC=CC1 |
| SPLASH |
splash10-006x-7892000000-9fd2f8605e82ed44b232 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trisalicylide
6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004210 |
