SpectraBase Spectrum ID |
4dA7c1bhPaz |
Name |
Ibuprofen-M (HO-) isomer-2 ME |
Classification |
Analgesic |
Comments |
Structure comment: Wiggly bond = unknown position of substituent |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
236.141244501 u |
Formula |
C14H20O3 |
InChI |
InChI=1S/C14H20O3/c1-10(9-15)8-12-4-6-13(7-5-12)11(2)14(16)17-3/h4-7,10-11,15H,8-9H2,1-3H3 |
InChIKey |
BITGTTUXZRDAGL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
236.311 g/mol |
SMILES |
c1c(ccc(C(C)C(=O)OC)c1)CC(CO)C |
SPLASH |
splash10-052f-2900000000-24a93d09b3e4a030d62f |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: UME |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_6386 |