| SpectraBase Spectrum ID |
6BFnJOxqyS1 |
| Name |
Valdecoxib AC @ |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
356.083078173 u |
| Formula |
C18H16N2O4S |
| InChI |
InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21) |
| InChIKey |
UMBILIGVYYXBRD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
356.396 g/mol |
| SMILES |
c1c(cccc1)-c1c(c(on1)C)-c1ccc(cc1)S(=O)(=O)NC(C)=O |
| SPLASH |
splash10-0kbf-8982000000-aaa14e73ade658841127 |
| 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 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8203 |
