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[1-13C]-5-(Benzyloxy)-3-penten-2-one
SpectraBase Compound ID 9f6MMS6FYe4
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+/i1+1
InChIKey CFZZYECNEFOQSS-FQKQSISNSA-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 9d9YwXcYrPO
Name [1-13C]-5-(Benzyloxy)-3-penten-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+/i1+1
InChIKey CFZZYECNEFOQSS-FQKQSISNSA-N
Literature Reference DOI 10.1002/anie.201209173
Molecular Weight 191.234 g/mol
SMILES [13CH3]C(\C=C\COCc1ccccc1)=O
SPLASH splash10-0006-9000000000-47db1d9749dbc21ecab9
Source of Spectrum ACI-52-SMSI-15-30
Synonyms (E)-5-(benzyloxy)pent-3-en-2-one-1-¹³C
Wiley ID 1781115