| SpectraBase Spectrum ID |
JJWHAiBOz6e |
| Name |
Valdecoxib 2ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
| Nominal Mass |
342 u |
| Quality |
985 |
| Retention Index |
2800 |
| SMILES |
C=1(C(C2=CC=CC=C2)=NOC1C)C1=CC=C(S(N(C)C)(=O)=O)C=C1 |
| SPLASH |
splash10-0006-9733000000-4d2267fd1da08b35982b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N,N-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004232 |
