| SpectraBase Spectrum ID |
2M6h37Dpuy |
| Name |
Valdecoxib ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
| Nominal Mass |
328 u |
| Quality |
993 |
| Retention Index |
2824 |
| SMILES |
C=1(C(C2=CC=CC=C2)=NOC1C)C1=CC=C(S(NC)(=O)=O)C=C1 |
| SPLASH |
splash10-002f-9844000000-bc64d91342757d716370 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-methyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004233 |
