SpectraBase Spectrum ID |
VPcCXNYZc |
Name |
Ibuprofen-M (HO-) MEAC |
Classification |
Analgesic |
Comments |
Structure comment: Wiggly bond = unknown position of substituent |
Copyright |
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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 |