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4-Pentanoylbenzaldehyde
SpectraBase Compound ID 7jSTLpJCgG5
InChI InChI=1S/C12H14O2/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-9H,2-4H2,1H3
InChIKey IXCLDNFJHREFBA-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eMXkMV0Qlc
Name 4-Pentanoylbenzaldehyde
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-9H,2-4H2,1H3
InChIKey IXCLDNFJHREFBA-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 190.242 g/mol
Quality 191
SMILES C(CCCC)(=O)C1=CC=C(C=C1)C=O
SPLASH splash10-001j-1900000000-beb90098c002feea70cf
Source of Spectrum QE-29-SM95-6 (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.36 (PE/Et2O, 8:2)
Wiley ID 1910306