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2-((Benzyloxy)methyl)-2-butylhexanal
SpectraBase Compound ID EU1OKy7VIn7
InChI InChI=1S/C18H28O2/c1-3-5-12-18(15-19,13-6-4-2)16-20-14-17-10-8-7-9-11-17/h7-11,15H,3-6,12-14,16H2,1-2H3
InChIKey QVIBJFSVZGTXKX-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWwkBVQfr6L
Name 2-((Benzyloxy)methyl)-2-butylhexanal
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-3-5-12-18(15-19,13-6-4-2)16-20-14-17-10-8-7-9-11-17/h7-11,15H,3-6,12-14,16H2,1-2H3
InChIKey QVIBJFSVZGTXKX-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.jmedchem.0c01589
Molecular Weight 276.420 g/mol
SMILES c1(ccccc1)COCC(C=O)(CCCC)CCCC
SPLASH splash10-0006-9100000000-e5674499178ddd6dbd9d
Source of Spectrum AF-63-13151-7a
Wiley ID 1879448