| SpectraBase Spectrum ID |
8HWG3BDdwjw |
| Name |
Indometacine ET |
| CAS Registry Number |
16401-99-3 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.108085824 u |
| Formula |
C21H20ClNO4 |
| InChI |
InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3 |
| InChIKey |
COIRSVPTDJIIKY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.847 g/mol |
| Nominal Mass |
385 u |
| Quality |
805 |
| Retention Index |
2877 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OCC)=O)C)C(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-000i-0903000000-ff788b02d1aab7912559 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020163 |
