| SpectraBase Spectrum ID |
2nxEsZx0ftw |
| Name |
Indometacin-A ME |
| CAS Registry Number |
7588-36-5 |
| Classification |
Pharmaceutical drug artifact derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
233.105193344 u |
| Formula |
C13H15NO3 |
| InChI |
InChI=1S/C13H15NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,14H,7H2,1-3H3 |
| InChIKey |
JYUNCKSXPPDNRM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
233.267 g/mol |
| Nominal Mass |
233 u |
| Quality |
896 |
| Retention Index |
1827 |
| SMILES |
C=12C(=C(NC2=CC=C(C1)OC)C)CC(OC)=O |
| SPLASH |
splash10-00di-0920000000-b6876a1851cdbb436b29 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[5-Methoxy-2-methyl-indol-3-yl]aceticacidmethyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001746 |
