SpectraBase Spectrum ID |
4TnosfQnwm |
Name |
Ibuprofen-M (CO2) 2ME |
CAS Registry Number |
66656-17-5 |
Classification |
Pharmaceutical drug metabolite |
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 |
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-b4744442c8a7cb0167fc |
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_022731 |