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1,2-Butane diol phenylboronate
SpectraBase Compound ID BIEwKwkvBwB
InChI InChI=1S/C10H13BO2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey LYOMSYSLUFYTOO-UHFFFAOYSA-N
Mol Weight 176.0 g/mol
Molecular Formula C10H13BO2
Exact Mass 176.10086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7ZkqW5Hf6y
Name 1,2-Butane diol phenylboronate
Classification Chemical
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Exact Mass 176.100859827 u
Formula C10H13BO2
InChI InChI=1S/C10H13BO2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey LYOMSYSLUFYTOO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.022 g/mol
SMILES CCC1COB(O1)c1ccccc1
SPLASH splash10-0002-4900000000-244c54b43b2f9f5a95cf
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 1,2-Butane diol phenylboronate
Technique GC/MS
Wiley ID MMPW6e_1900