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[4-(13)C]-4-(Benzyloxy)butan-2-one
SpectraBase Compound ID CiAxhxwg06J
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
InChIKey BTOZGSIVAZGXCH-VJJZLTLGSA-N
Mol Weight 179.22 g/mol
Molecular Formula C1013CH14O2
Exact Mass 179.102735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oX6kyYACf1
Name [4-(13)C]-4-(Benzyloxy)butan-2-one
Comments Original formula: C10[13C]H14O2
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
InChIKey BTOZGSIVAZGXCH-VJJZLTLGSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 179.223 g/mol
SMILES [13CH2](CC(C)=O)OCc1ccccc1
SPLASH splash10-0006-9300000000-f2c3d365a3925b011c93
Source of Spectrum CBC-15-2379/SM11-21b
Synonyms 4-(benzyloxy)butan-2-one-4-¹³C
Wiley ID 1786827