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trans-(1R,2R)-(2-Phenylcyclopentyl)methanol
SpectraBase Compound ID 4oIKiuHFrxA
InChI InChI=1S/C12H16O/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m0/s1
InChIKey CIGNCMVFJXCCMW-RYUDHWBXSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhfiCPzqcWJ
Name [(1R,2R)-2-phenylcyclopentyl]methanol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m0/s1
InChIKey CIGNCMVFJXCCMW-RYUDHWBXSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.0c03998
Molecular Weight 176.259 g/mol
Optical Rotation [a]D =-18.8(c = 0.35, CH2Cl2)
SMILES OC[C@]1([C@@](CCC1)(c1ccccc1)[H])[H]
SPLASH splash10-00mo-5900000000-6349600aee4f2b21cade
Sample Comments dr >95:5
Source of Spectrum A1-23-SM32-2l
Wiley ID 1865955