| SpectraBase Spectrum ID |
JHfq164yOJc |
| Name |
Diclofenac-M 2ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.042898744 u |
| Formula |
C16H15Cl2NO3 |
| InChI |
InChI=1S/C16H15Cl2NO3/c1-19(16-12(17)4-3-5-13(16)18)14-7-6-11(22-2)8-10(14)9-15(20)21/h3-8H,9H2,1-2H3,(H,20,21) |
| InChIKey |
AEKQWYWWANGBHR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
340.206 g/mol |
| Nominal Mass |
339 u |
| Quality |
931 |
| Retention Index |
2453 |
| SMILES |
OC(CC1=C(N(C=2C(=CC=CC2Cl)Cl)C)C=CC(=C1)OC)=O |
| SPLASH |
splash10-0007-1392000000-a6c4e66f7afd9692f899 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-((2,6-dichlorophenyl)(methyl)amino)-5-methoxyphenyl)acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000899 |
