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(1R,2S)-Phenyl(2-phenylcyclopentyl)methanone
SpectraBase Compound ID 1cQARpxoL5d
InChI InChI=1S/C18H18O/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(17)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m1/s1
InChIKey SRRBQLPNVCXGAR-IAGOWNOFSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LqhKktk3qF
Name (1R,2S)-Phenyl(2-phenylcyclopentyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.135765199 u
Formula C18H18O
InChI InChI=1S/C18H18O/c19-18(15-10-5-2-6-11-15)17-13-7-12-16(17)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m1/s1
InChIKey SRRBQLPNVCXGAR-IAGOWNOFSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705964
Molecular Weight 250.341 g/mol
Quality 62
SMILES C1(=CC=CC=C1)C(=O)[C@]1([C@](CCC1)(C1=CC=CC=C1)[H])[H]
SPLASH splash10-0udi-2790000000-900568c643c1b18ce349
Sample Comments Diastereomeric mixture (4.6:1)
Source of Spectrum ACI-56-SM14-8a (DOI: 10.1002/anie.201705964)
Wiley ID 1896446