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(E)-2-methyl-5-phenyldodec-4-en-6-one
SpectraBase Compound ID 23aTt1hzyiN
InChI InChI=1S/C19H28O/c1-4-5-6-10-13-19(20)18(15-14-16(2)3)17-11-8-7-9-12-17/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3/b18-15+
InChIKey MOUGQQVBCACUEV-OBGWFSINSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQVHZ4s4QE1
Name (E)-2-methyl-5-phenyldodec-4-en-6-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.214015521 u
Formula C19H28O
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 290oC or 320oC
InChI InChI=1S/C19H28O/c1-4-5-6-10-13-19(20)18(15-14-16(2)3)17-11-8-7-9-12-17/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3/b18-15+
InChIKey MOUGQQVBCACUEV-OBGWFSINSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975 inert
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600710
Molecular Weight 272.432 g/mol
Quality 651
Reported Formula C19H28O
SMILES CC(C)C\C=C\(C(CCCCCC)=O)C1=CC=CC=C1
SPLASH splash10-014l-4920000000-a2604dcb0ac843c440a4
Source of Spectrum QE-22-SM11-3ea (DOI: 10.1002/chem.201600710)
Thin-Layer Chromatography 0.84 (pentane/EtOAc, 9:1)
Wiley ID 1903167