Celecoxib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU235602
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU235602 contains the MS2 mass spectrum of Celecoxib with the InChIkey RZEKVGVHFLEQIL-UHFFFAOYSA-N.
Source: Celecoxib
Chemical Info
| InChI | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
|---|---|
| SMILES | CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F |
| InChI Key | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
| Molecular Formula | C17H14F3N3O2S |
| Exact Mass | 381.076 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 0bfcf973-b209-46b3-a90b-a2d6671550b2 |
| Package id | msbnk-athens_univ-au235602 |
| Resource type | HTML |
| State | active |