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[5-13C]-(E)-5-(benzyloxy)pent-3-en-2-one
SpectraBase Compound ID 7JXqHyuy8N9
InChI InChI=1S/C12H14O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-8H,9-10H2,1H3/b6-5+/i9+1
InChIKey CFZZYECNEFOQSS-LLCVDOCGSA-N
Mol Weight 191.23 g/mol
Molecular Formula C1113CH14O2
Exact Mass 191.102735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFsWuilV8Ii
Name [5-13C]-(E)-5-(benzyloxy)pent-3-en-2-one
Comments Original formula: C11[13C]H14O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-8H,9-10H2,1H3/b6-5+/i9+1
InChIKey CFZZYECNEFOQSS-LLCVDOCGSA-N
Literature Reference DOI 10.1039/c4cc00177j
Molecular Weight 191.234 g/mol
SMILES [13CH2](\C=C\C(=O)C)OCc1ccccc1
SPLASH splash10-0006-9100000000-a88fa871c6f2a9b80419
Source of Spectrum KD-50-4228/SMS19-7d
Wiley ID 1754461