| SpectraBase Spectrum ID |
J5TiF3CpOTw |
| Name |
Indometacin-A |
| CAS Registry Number |
2882-15-7 |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15) |
| InChIKey |
TXWGINUZLBAKDF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.240 g/mol |
| Nominal Mass |
219 u |
| Quality |
937 |
| Retention Index |
1681 |
| SMILES |
OC(CC=1C=2C(NC1C)=CC=C(C2)OC)=O |
| SPLASH |
splash10-00di-1920000000-a5840c08d4115b25b17e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Methoxy-2-methyl-indol-acetic acid
5-Methoxy-2-methylindol-3-acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020153 |
