| SpectraBase Spectrum ID |
1cvA27DFvk |
| Name |
Diclofenac-M isomer-1 -H2O AC |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
365.022163299 u |
| Formula |
C17H13Cl2NO4 |
| InChI |
InChI=1S/C17H13Cl2NO4/c1-9(21)24-15-8-13-10(6-14(15)23-2)7-16(22)20(13)17-11(18)4-3-5-12(17)19/h3-6,8H,7H2,1-2H3 |
| InChIKey |
ZJGLNKXGEZCSTJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.200 g/mol |
| SMILES |
COc1cc2c(N(C(C2)=O)c2c(Cl)cccc2Cl)cc1OC(=O)C |
| SPLASH |
splash10-000i-6892000000-885ce58f27ace96ed6f0 |
| 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 |
| Synonyms |
Diclofenac-M (HO-methoxy-) isomer-1 -H2O AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4468 |
