| SpectraBase Spectrum ID |
CGGMOr2mEl8 |
| Name |
Rofecoxib -SO2CH2 |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.083729624 u |
| Formula |
C16H12O2 |
| InChI |
InChI=1S/C16H12O2/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey |
CPBAHTZRJQATEJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.270 g/mol |
| SMILES |
C1OC(C(c2ccccc2)=C1c1ccccc1)=O |
| SPLASH |
splash10-056r-4960000000-e50b41877b924d0ba18f |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7490 |
