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3-[4'-Isopropyl-2'-methylphenyl]propanal
SpectraBase Compound ID 27WIgnRArgF
InChI InChI=1S/C13H18O/c1-10(2)13-7-6-12(5-4-8-14)11(3)9-13/h6-10H,4-5H2,1-3H3
InChIKey NMDUUPWJBWOPKJ-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oHpqIxE6Pr
Name 3-[4'-Isopropyl-2'-methylphenyl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10(2)13-7-6-12(5-4-8-14)11(3)9-13/h6-10H,4-5H2,1-3H3
InChIKey NMDUUPWJBWOPKJ-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES c1c(ccc(c1C)CCC=O)C(C)C
SPLASH splash10-069v-1900000000-15bc1e9918ae0af739a8
Source of Spectrum H-79-1107-17
Synonyms 3-(4-isopropyl-2-methylphenyl)propanal 3-(2-Methyl-4-propan-2-ylphenyl)propanal 3-(4-isopropyl-2-methyl-phenyl)propanal 3-(2-Methyl-4-propan-2-yl-phenyl)propanal
Wiley ID 1187077