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4'-Methyl-heptanophenone
SpectraBase Compound ID 1sfFUQnvfgy
InChI InChI=1S/C14H20O/c1-3-4-5-6-7-14(15)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3
InChIKey CYZHVLKQVXBTCS-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B215SvaJooK
Name 1-(p-Tolyl)heptan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-3-4-5-6-7-14(15)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3
InChIKey CYZHVLKQVXBTCS-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 204.313 g/mol
Quality 88
SMILES C=1C(=CC=C(C(=O)CCCCCC)C1)C
SPLASH splash10-0159-1900000000-7ca60808268dc8ddf470
Source of Spectrum QE-27-SM34-2k (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.50 (hexane/EtOAc, 97:3)
Wiley ID 1902309