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5-methoxy-2-octylbenzaldehyde
SpectraBase Compound ID 8Vg40HRmqip
InChI InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-14-10-11-16(18-2)12-15(14)13-17/h10-13H,3-9H2,1-2H3
InChIKey WWVJMVXSSNIUFK-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxQEwSYYRE0
Name 5-methoxy-2-octylbenzaldehyde
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-14-10-11-16(18-2)12-15(14)13-17/h10-13H,3-9H2,1-2H3
InChIKey WWVJMVXSSNIUFK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 248.366 g/mol
Quality 166
Reported Formula C16H24O2
SMILES COC=1C=CC(=C(C1)C=O)CCCCCCCC
SPLASH splash10-0002-1920000000-7ee8cfb793f8f6968ee9
Source of Spectrum ACI-56-SM17-6e (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.38 (Hexane/DCM, 1:1)
Wiley ID 1896006