| SpectraBase Spectrum ID |
H9000JdZa7z |
| Name |
Diclofenac-M (HO-) -H2O iso-2 AC @ |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.011598615 u |
| Formula |
C16H11Cl2NO3 |
| InChI |
InChI=1S/C16H11Cl2NO3/c1-9(20)22-11-5-6-14-10(7-11)8-15(21)19(14)16-12(17)3-2-4-13(16)18/h2-7H,8H2,1H3 |
| InChIKey |
STQNHPBEJQBVKN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.174 g/mol |
| SMILES |
c12c(CC(N2c2c(cccc2Cl)Cl)=O)cc(cc1)OC(C)=O |
| SPLASH |
splash10-000y-1191000000-4545f23409a7641c82b6 |
| 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 |
Aceclofenac-M (HO-diclofenac) -H2O isomer-2 AC
Diclofenac-M (HO-) -H2O isomer-2 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1212 |
