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4-Methylbenzaldehyde
SpectraBase Compound ID JupFSgpvHLd
InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hYlJerWJlg
Name 4-methylbenzaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 120.057514877 u
Formula C8H8O
InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
Instrument Name Agilent 7890A GC-5975C MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215933
Molecular Weight 120.151 g/mol
Quality 666
SMILES C1=CC(=CC=C1C)C=O
SPLASH splash10-01bc-7900000000-bac9b1c4c8458f5a73c9
Source of Spectrum ACI-62-SM8-Entry 3, Table S1 (DOI: 10.1002/anie.202215933)
Wiley ID 1908384