| SpectraBase Spectrum ID |
Dlz9HS5dqWO |
| Name |
Indometacin ME |
| CAS Registry Number |
1601-18-9 |
| 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 |
371.092435760 u |
| Formula |
C20H18ClNO4 |
| InChI |
InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3 |
| InChIKey |
OKHORWCUMZIORR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
371.820 g/mol |
| Nominal Mass |
371 u |
| Quality |
936 |
| Retention Index |
2777 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OC)=O)C)C(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-000i-0902000000-f0d8611dbd1ea0d8d8de |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001745 |
