| SpectraBase Spectrum ID |
1Bwbny6iAq |
| Name |
Valdecoxib ME @ |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
328.088163554 u |
| Formula |
C17H16N2O3S |
| InChI |
InChI=1S/C17H16N2O3S/c1-12-16(17(19-22-12)14-6-4-3-5-7-14)13-8-10-15(11-9-13)23(20,21)18-2/h3-11,18H,1-2H3 |
| InChIKey |
XJHRKOXDKLNNIL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
328.386 g/mol |
| SMILES |
c1c(cccc1)-c1c(c(on1)C)-c1ccc(cc1)S(=O)(=O)NC |
| SPLASH |
splash10-002o-8932000000-4a11afbf488baad63ec8 |
| 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 ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8200 |
