| SpectraBase Spectrum ID |
2oOPv6kCmFU |
| Name |
Indometacin |
| CAS Registry Number |
53-86-1 |
| Classification |
Pharmaceutical drug, antiphlogistic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.076785695 u |
| Formula |
C19H16ClNO4 |
| InChI |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| InChIKey |
CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
357.793 g/mol |
| Nominal Mass |
357 u |
| Quality |
935 |
| Retention Index |
2685 |
| SMILES |
OC(CC=1C=2C(N(C1C)C(C1=CC=C(C=C1)Cl)=O)=CC=C(C2)OC)=O |
| SPLASH |
splash10-000i-0901000000-bd20c88b39790f25a4d9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Indomethacin
Indomethacine
[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001748 |
