| SpectraBase Spectrum ID |
DouLCKsZvzE |
| Name |
Diclofenac ME |
| CAS Registry Number |
15307-78-5 |
| 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 |
309.032334061 u |
| Formula |
C15H13Cl2NO2 |
| InChI |
InChI=1S/C15H13Cl2NO2/c1-18(15-11(16)6-4-7-12(15)17)13-8-3-2-5-10(13)9-14(19)20/h2-8H,9H2,1H3,(H,19,20) |
| InChIKey |
BDKIHDDTPIFZRM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.180 g/mol |
| Nominal Mass |
309 u |
| Quality |
939 |
| Retention Index |
2244 |
| SMILES |
OC(CC1=C(N(C=2C(=CC=CC2Cl)Cl)C)C=CC=C1)=O |
| SPLASH |
splash10-03xr-3391000000-105228f6ffff2f9b9c86 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diclofenac,methyl ester
(2-((2,6-dichlorophenyl)(methyl)amino)phenyl)acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000897 |
