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2-Bromo-3-methylbutyric acid
SpectraBase Compound ID BafN5dSAPwg
InChI InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChIKey UEBARDWJXBGYEJ-UHFFFAOYSA-N
Mol Weight 181.03 g/mol
Molecular Formula C5H9BrO2
Exact Mass 179.978593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79Nz1gp3gXE
Name Bromisoval-M/artifact
Classification Hypnotic
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Exact Mass 179.978592528 u
Formula C5H9BrO2
InChI InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChIKey UEBARDWJXBGYEJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.029 g/mol
SMILES C(C(C(O)=O)Br)(C)C
SPLASH splash10-0cki-9800000000-665e0eca9050a3bff767
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: G
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Bromisoval-M/artifact (bromoisovalerianic acid)
Technique GC/MS
Wiley ID MMPW6e_2393