| SpectraBase Spectrum ID |
JHEoLIGqSPY |
| Name |
Carprofen |
| CAS Registry Number |
53716-49-7 |
| Classification |
Pharmaceutical drug, analgesic, anti-inflammatory |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
273.055656328 u |
| Formula |
C15H12ClNO2 |
| InChI |
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19) |
| InChIKey |
PUXBGTOOZJQSKH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
273.719 g/mol |
| Nominal Mass |
273 u |
| Quality |
942 |
| Retention Index |
2121 |
| SMILES |
OC(C(C1=CC2=C(C=3C(N2)=CC=C(C3)Cl)C=C1)C)=O |
| SPLASH |
splash10-004i-1590000000-43398e29c76eb335a1b4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(6-Chloro-9H-carbazol-2-yl)propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020157 |
