| SpectraBase Spectrum ID |
VPcCXNYZc |
| Name |
Ibuprofen-M (HO-) MEAC |
| Classification |
Analgesic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-10(2)15(20-12(4)17)14-8-6-13(7-9-14)11(3)16(18)19-5/h6-11,15H,1-5H3 |
| InChIKey |
VDQKCNCPLTVOHD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.348 g/mol |
| SMILES |
c1c(ccc(c1)C(C)C(=O)OC)C(C(C)C)OC(C)=O |
| SPLASH |
splash10-0aor-2910000000-b7b66fe7dc84a1b6e5bd |
| 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: UHYAC |
| 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_3385 |
