| SpectraBase Spectrum ID |
7EeHbxGkAk2 |
| Name |
Diclofenac-M (di-HO-) -H2O 2AC |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
393.017077918 u |
| Formula |
C18H13Cl2NO5 |
| InChI |
InChI=1S/C18H13Cl2NO5/c1-9(22)25-15-6-11-7-17(24)21(14(11)8-16(15)26-10(2)23)18-12(19)4-3-5-13(18)20/h3-6,8H,7H2,1-2H3 |
| InChIKey |
VVNCTOWJGCFANW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
394.210 g/mol |
| SMILES |
CC(Oc1cc2N(C(Cc2cc1OC(=O)C)=O)c1c(Cl)cccc1Cl)=O |
| SPLASH |
splash10-0udi-0129000000-142db33cd66162e25c76 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4467 |
