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4-Neopentylbenzaldehyde
SpectraBase Compound ID 5rl6z2NZOTT
InChI InChI=1S/C12H16O/c1-12(2,3)8-10-4-6-11(9-13)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey CGXKLNLXGJBZBI-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSx2MhyxpoA
Name 4-Neopentylbenzaldehyde
Appearance Colorless-transparent liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-12(2,3)8-10-4-6-11(9-13)7-5-10/h4-7,9H,8H2,1-3H3
InChIKey CGXKLNLXGJBZBI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Molecular Weight 176.259 g/mol
SMILES C(Cc1ccc(cc1)C=O)(C)(C)C
SPLASH splash10-05fr-7900000000-d9b9e6e1101ccac59799
Source of Spectrum WO2021075517A1
Wiley ID 1880112