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Benzyl (1-13C)acetate
SpectraBase Compound ID H7vspphMlwt
InChI InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/i7+1
InChIKey QUKGYYKBILRGFE-CDYZYAPPSA-N
Mol Weight 151.17 g/mol
Molecular Formula C813CH10O2
Exact Mass 151.071434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjocnU1bxEQ
Name Benzyl (1-13C)acetate
Appearance Colourless oil
Comments Original formula: C8[13C]H10O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/i7+1
InChIKey QUKGYYKBILRGFE-CDYZYAPPSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 151.169 g/mol
SMILES [13CH2](c1ccccc1)OC(C)=O
SPLASH splash10-0a4l-7900000000-b2188408adf81077fec1
Source of Spectrum QE-26-SM121-S9
Thin-Layer Chromatography Rf = 0.47 (pentane/Et2O, 5/1)
Wiley ID 1858532