| SpectraBase Spectrum ID |
5CsAfqUOC8 |
| Name |
Valdecoxib 2ME @ |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
342.103813619 u |
| Formula |
C18H18N2O3S |
| InChI |
InChI=1S/C18H18N2O3S/c1-13-17(18(19-23-13)15-7-5-4-6-8-15)14-9-11-16(12-10-14)24(21,22)20(2)3/h4-12H,1-3H3 |
| InChIKey |
YAZCTNIKSQVFIO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
342.413 g/mol |
| SMILES |
c1ccccc1-c1c(c(on1)C)-c1ccc(cc1)S(=O)(=O)N(C)C |
| SPLASH |
splash10-0f6x-7943000000-31b65219240adf60a63b |
| 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. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Parecoxib -C3H4O 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8201 |
