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2-Phenylbutyric acid
SpectraBase Compound ID Du0r3i22lo
InChI InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChIKey OFJWFSNDPCAWDK-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Pj22FaUJKw
Name Butethamate-M/artifact (HOOC-)
CAS Registry Number 90-27-7
Classification Anticholinergic
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Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChIKey OFJWFSNDPCAWDK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
SMILES C(C(CC)c1ccccc1)(O)=O
SPLASH splash10-0006-9300000000-af9bd1ca30b9f1b85cd9
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: U UHY 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_2912