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(1S,2R)-2-(2-hydroxyethyl)cyclohexyl 2-pehylacetate
SpectraBase Compound ID JeAFvuQW1Jh
InChI InChI=1S/C16H22O3/c17-11-10-14-8-4-5-9-15(14)19-16(18)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey UAKACFHIZCEAKP-CABCVRRESA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfvcfV61e37
Name (1S,2R)-2-(2-hydroxyethyl)cyclohexyl 2-pehylacetate
Appearance Colorless oil
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Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c17-11-10-14-8-4-5-9-15(14)19-16(18)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey UAKACFHIZCEAKP-CABCVRRESA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Molecular Weight 262.349 g/mol
Optical Rotation [a]D20 = +38.3 (c = 1.0, CH2Cl2)
Quality 163
Reported Formula C16H22O3
SMILES OCC[C@@]1([C@@](OC(CC2=CC=CC=C2)=O)(CCCC1)[H])[H]
SPLASH splash10-054o-9100000000-a71611de2e705e214526
Source of Spectrum QE-24-SM24-5v (DOI: 10.1002/chem.201801434)
Wiley ID 1900273