| SpectraBase Spectrum ID |
4ZgvAvALmQb |
| Name |
Ibuprofen-M (HO-) isomer-4 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 |
splash10-014i-1910000000-c608de5114de8dec2b25 |
| 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_6387 |
