| SpectraBase Spectrum ID |
8IIUb5cnDV |
| Name |
Dipyrone = Metamizol @ |
| CAS Registry Number |
68-89-3 |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
311.093977209 u |
| Formula |
C13H17N3O4S |
| InChI |
InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20) |
| InChIKey |
LVWZTYCIRDMTEY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
311.356 g/mol |
| SMILES |
c1(N2C(C(N(CS(=O)(O)=O)C)=C(N2C)C)=O)ccccc1 |
| SPLASH |
splash10-00xr-9510000000-1e514af4a11c41e9b2ee |
| 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: G P U |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Dipyrone
Metamizol |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_197 |
