| SpectraBase Spectrum ID |
Bkq3uHsjZe3 |
| Name |
Valdecoxib 2TMS @ |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
458.151567075 u |
| Formula |
C22H30N2O3SSi2 |
| InChI |
InChI=1S/C22H30N2O3SSi2/c1-17-21(22(23-27-17)19-11-9-8-10-12-19)18-13-15-20(16-14-18)28(25,26)24(29(2,3)4)30(5,6)7/h8-16H,1-7H3 |
| InChIKey |
YXXIERVSXCQDIR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
458.723 g/mol |
| SMILES |
c1c(cccc1)-c1c(c(on1)C)-c1ccc(cc1)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C |
| SPLASH |
splash10-0005-4942300000-8b51826ad50f838a60b7 |
| 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 2TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8204 |
