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[1,3-(13)C2]-4-(Benzyloxy)butan-2-one
SpectraBase Compound ID FaldiQKcD9d
InChI InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i1+1,7+1
InChIKey BTOZGSIVAZGXCH-SPBYTNOZSA-N
Mol Weight 180.22 g/mol
Molecular Formula C913C2H14O2
Exact Mass 180.106089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzuFAIJ2fZK
Name [1,3-(13)C2]-4-(Benzyloxy)butan-2-one
Comments Original formula: C9[13C]2H14O2
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Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i1+1,7+1
InChIKey BTOZGSIVAZGXCH-SPBYTNOZSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 180.216 g/mol
SMILES [13CH3]C([13CH2]COCc1ccccc1)=O
SPLASH splash10-052f-9300000000-6585a5f9a15dd7eaef9f
Source of Spectrum CBC-15-2379/SM11-21c
Synonyms 4-(benzyloxy)butan-2-one-1,3-13C2
Wiley ID 1786828