| SpectraBase Spectrum ID |
JFfFVZ1nlOC |
| Name |
Cromoglycic acid |
| CAS Registry Number |
16110-51-3 |
| Classification |
Pharmaceutical drug, antiinflammatory, antirheumatic, immunomodulating |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
468.069261324 u |
| Formula |
C23H16O11 |
| InChI |
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) |
| InChIKey |
IMZMKUWMOSJXDT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
468.370 g/mol |
| Nominal Mass |
468 u |
| Quality |
977 |
| SMILES |
OC(C=1OC2=C(C(OCC(COC=3C4=C(OC(=CC4=O)C(=O)O)C=CC3)O)=CC=C2)C(C1)=O)=O |
| SPLASH |
splash10-001i-2900000000-4d90a62221e6dc931a4a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(3-((2-carboxy-4-oxo-4H-chromen-5-yl)oxy)-2-hydroxypropoxy)-4-oxo-4H-chromene-2-carboxylic \racid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000825 |
