| SpectraBase Spectrum ID |
KNrKkBPBXXh |
| Name |
Pirprofen |
| CAS Registry Number |
31793-07-4 |
| Classification |
Pharmaceutical drug, antiphlogistic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
251.071306393 u |
| Formula |
C13H14ClNO2 |
| InChI |
InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17) |
| InChIKey |
PIDSZXPFGCURGN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.713 g/mol |
| Nominal Mass |
251 u |
| Quality |
835 |
| Retention Index |
1870 |
| SMILES |
OC(C(C1=CC(=C(N2CC=CC2)C=C1)Cl)C)=O |
| SPLASH |
splash10-0udi-2490000000-09b0f68e39710f99eb92 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[3-Chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003699 |
