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[4-13C]-(E)-5-(benzyloxy)pent-3-en-2-ol
SpectraBase Compound ID BNPaRyvkLbV
InChI InChI=1S/C12H16O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/b6-5+/i5+1
InChIKey DBWJFFXDFBORTQ-HMKLLNEPSA-N
Mol Weight 193.25 g/mol
Molecular Formula C1113CH16O2
Exact Mass 193.118385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bjkms7tC5Cu
Name [4-13C]-(E)-5-(benzyloxy)pent-3-en-2-ol
Comments Original formula: C11[13C]H16O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/b6-5+/i5+1
InChIKey DBWJFFXDFBORTQ-HMKLLNEPSA-N
Literature Reference DOI 10.1039/c4cc00177j
Molecular Weight 193.250 g/mol
SMILES C(\[13CH]=C\C(C)O)OCc1ccccc1
SPLASH splash10-0006-9100000000-12e30cb1f484532c38f2
Source of Spectrum KD-50-4228/SMS18-15b
Wiley ID 1754453