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(4R,5S) and (4R,5R)-4,5-Dimethyl-5-phenylcyclopentenone
SpectraBase Compound ID eqbAuLgFHx
InChI InChI=1S/C13H14O/c1-10-8-9-12(14)13(10,2)11-6-4-3-5-7-11/h3-10H,1-2H3/t10-,13+/m1/s1
InChIKey KWFXWSKINHYKKC-MFKMUULPSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hRcbUv2Jdm
Name (4R,5S) and (4R,5R)-4,5-Dimethyl-5-phenylcyclopentenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c1-10-8-9-12(14)13(10,2)11-6-4-3-5-7-11/h3-10H,1-2H3/t10-,13+/m1/s1
InChIKey KWFXWSKINHYKKC-MFKMUULPSA-N
Molecular Weight 186.254 g/mol
SMILES [C@]1(C(C=C[C@]1(C)[H])=O)(c1ccccc1)C
SPLASH splash10-00bl-1900000000-e98891ee8747dcc85d2b
Source of Spectrum KD-15-650-1
Wiley ID 1636796