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5-Benzyloxy-2-[13C]-pentanal
SpectraBase Compound ID 2srZ5kA2mhM
InChI InChI=1S/C12H16O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2/i7+1
InChIKey KDNUJAZVJXKPNI-CDYZYAPPSA-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 6YqpyYQX9fY
Name 5-Benzyloxy-2-[13C]-pentanal
Comments Original formula: C11[13C]H16O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2/i7+1
InChIKey KDNUJAZVJXKPNI-CDYZYAPPSA-N
Molecular Weight 193.250 g/mol
SMILES [13cH]1ccccc1COCCCCC=O
SPLASH splash10-0006-9300000000-193f2e2f596c5fe2a3c8
Source of Spectrum F-38-1655-0
Wiley ID 1188854