| SpectraBase Spectrum ID |
4tZjBC9DmWe |
| Name |
Valdecoxib TMS @ |
| Classification |
Analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
386.112040282 u |
| Formula |
C19H22N2O3SSi |
| InChI |
InChI=1S/C19H22N2O3SSi/c1-14-18(19(20-24-14)16-8-6-5-7-9-16)15-10-12-17(13-11-15)25(22,23)21-26(2,3)4/h5-13,21H,1-4H3 |
| InChIKey |
JXCCFDCXZSPTMQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
386.541 g/mol |
| SMILES |
c1c(-c2c(c(on2)C)-c2ccc(cc2)S(=O)(=O)N[Si](C)(C)C)cccc1 |
| SPLASH |
splash10-00b9-9512000000-07cbeacdc3f13263ef43 |
| 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 TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8202 |
