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3-Bromo-4-methylbenzaldehyde
SpectraBase Compound ID 4jDafIeLZHS
InChI InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChIKey WTXXUAHMTVAQHW-UHFFFAOYSA-N
Mol Weight 199.05 g/mol
Molecular Formula C8H7BrO
Exact Mass 197.968028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4t9329HqzOu
Name 3-Bromo-4-methylbenzaldehyde
Appearance Yellowish solid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.968027844 u
Formula C8H7BrO
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChIKey WTXXUAHMTVAQHW-UHFFFAOYSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 199.047 g/mol
Quality 291
SMILES C=1C=C(C)C(=CC1C=O)Br
SPLASH splash10-0002-5910000000-a616d2183a629ca2d72f
Source of Spectrum K1-2022-SM8-SI-1 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1898731