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Ibuprofen-M (HO-HOOC-) -H2O 2ME
SpectraBase Compound ID 5QITr7gBpEm
InChI InChI=1S/C15H18O4/c1-10(14(16)18-3)9-12-5-7-13(8-6-12)11(2)15(17)19-4/h5-9,11H,1-4H3/b10-9-
InChIKey WTUFSEQMGMTLSM-KTKRTIGZSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RIxYFWHom
Name Ibuprofen-M (HO-HOOC-) -H2O 2ME
Classification Analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-10(14(16)18-3)9-12-5-7-13(8-6-12)11(2)15(17)19-4/h5-9,11H,1-4H3/b10-9-
InChIKey WTUFSEQMGMTLSM-KTKRTIGZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 262.305 g/mol
SMILES c1c(ccc(c1)C(C)C(=O)OC)\C=C\(C)C(=O)OC
SPLASH splash10-0ufr-2940000000-564df3ea07a008a1c557
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_3386