| SpectraBase Spectrum ID |
JH2jKbdlilM |
| Name |
Ibuprofen-M ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-9,11H,1-4H3 |
| InChIKey |
FZNGSSJEXOHQBD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.296 g/mol |
| Nominal Mass |
218 u |
| Quality |
881 |
| Retention Index |
1579 |
| SMILES |
C1(C(C(OC)=O)C)=CC=C(C=C1)C=C(C)C |
| SPLASH |
splash10-0a4i-1900000000-f05732a913fec4b0450a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-(4-(2-methylprop-1-en-1-yl)phenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001708 |
