| SpectraBase Spectrum ID |
JETBdhCAN1M |
| Name |
Ibuprofen,propyl ester |
| Classification |
Chemical |
| 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 |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-5-10-18-16(17)13(4)15-8-6-14(7-9-15)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey |
QXWDAKBZLIENSO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.366 g/mol |
| Nominal Mass |
248 u |
| Quality |
995 |
| Retention Index |
1657 |
| SMILES |
C=1(C(C(OCCC)=O)C)C=CC(=CC1)CC(C)C |
| SPLASH |
splash10-03di-2900000000-2196f762d322951f9535 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propyl 2-(4-(2-methylpropyl)phenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032815 |
