| SpectraBase Spectrum ID |
2E0cIiT3DBa |
| Name |
Ibuprofen-M (CO2) 2ME |
| CAS Registry Number |
66656-17-5 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-10(14(16)18-3)9-12-5-7-13(8-6-12)11(2)15(17)19-4/h5-8,10-11H,9H2,1-4H3 |
| InChIKey |
HWGFJGIDJHBXPQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.321 g/mol |
| Nominal Mass |
264 u |
| Quality |
992 |
| Retention Index |
1897 |
| SMILES |
C1(C(C(OC)=O)C)=CC=C(CC(C(OC)=O)C)C=C1 |
| SPLASH |
splash10-0ar1-3950000000-e7c9bab88406eb1eb158 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-(4-(1-methoxy-1-oxopropan-2-yl)phenyl)-2-methylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022747 |
