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3-(2-Methyl-4-neopentylphenyl)-2-methylpropanal
SpectraBase Compound ID 6pqRYlu0ev0
InChI InChI=1S/C16H24O/c1-12(11-17)8-15-7-6-14(9-13(15)2)10-16(3,4)5/h6-7,9,11-12H,8,10H2,1-5H3
InChIKey URFMLWDTXPNIEO-UHFFFAOYSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHD23iNTtvm
Name 3-(2-Methyl-4-neopentylphenyl)-2-methylpropanal
Appearance Colorless-transparent liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O
InChI InChI=1S/C16H24O/c1-12(11-17)8-15-7-6-14(9-13(15)2)10-16(3,4)5/h6-7,9,11-12H,8,10H2,1-5H3
InChIKey URFMLWDTXPNIEO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Molecular Weight 232.367 g/mol
SMILES Cc1c(ccc(c1)CC(C)(C)C)CC(C=O)C
SPLASH splash10-0aor-4910000000-04b6e57fa75b43312c18
Source of Spectrum WO2021075517A1
Wiley ID 1880119