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(3RS,4SR)-3-Methyl-4-phenyloctan-2-one
SpectraBase Compound ID BOxDXXztGXa
InChI InChI=1S/C15H22O/c1-4-5-11-15(12(2)13(3)16)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3
InChIKey KTZIOXJEMIGUQN-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpNFTFQsqwn
Name (3RS,4SR)-3-Methyl-4-phenyloctan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-4-5-11-15(12(2)13(3)16)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3
InChIKey KTZIOXJEMIGUQN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000412
Molecular Weight 218.340 g/mol
SMILES CC(C(C(CCCC)c1ccccc1)C)=O
SPLASH splash10-0007-9500000000-dc2c2bb96464e08f3f8a
Source of Spectrum ASC-352-2281/SM16-rac_11
Synonyms 3-Methyl-4-phenyloctan-2-one
Wiley ID 1763983