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3-[(1R,3S)-1-methyl-3-phenyl-butyl]cyclopent-2-en-1-one
SpectraBase Compound ID K47rwXP5xu9
InChI InChI=1S/C16H20O/c1-12(14-6-4-3-5-7-14)10-13(2)15-8-9-16(17)11-15/h3-7,11-13H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKey UMNLPXCJFFGRHL-QWHCGFSZSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xLJPxLmnvW
Name 3-[(1R,3S)-1-methyl-3-phenyl-butyl]cyclopent-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-12(14-6-4-3-5-7-14)10-13(2)15-8-9-16(17)11-15/h3-7,11-13H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKey UMNLPXCJFFGRHL-QWHCGFSZSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202002297
Molecular Weight 228.335 g/mol
Reported Formula C16H20O
SMILES c1([C@@](C)(C[C@](C2=CC(CC2)=O)(C)[H])[H])ccccc1
SPLASH splash10-066r-3900000000-86f4046cac2f3c10c474
Source of Spectrum QE-76-SM16-syn-3a
Wiley ID 1843556