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[2,4-(13)C2]-4-(Benzyloxy)butan-2-one
SpectraBase Compound ID IZomVRKj4UI
InChI InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i8+1,10+1
InChIKey BTOZGSIVAZGXCH-GAWGKFCISA-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 2lVWNFj5eK
Name [2,4-(13)C2]-4-(Benzyloxy)butan-2-one
Alternate Name(s) 4-(benzyloxy)butan-2-one-2,4-13C2
Comments Original formula: C9[13C]2H14O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/i8+1,10+1
InChIKey BTOZGSIVAZGXCH-GAWGKFCISA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 180.216 g/mol
SMILES [13CH2](C[13C](C)=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-b2711eb1fa289f82892b
Source of Spectrum CBC-15-2379/SM11-21d
Wiley ID 1786829