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(1S,2R)-2-(2-hydroxyethyl)cyclohexyl 2-hydroxybenzoate
SpectraBase Compound ID jLxKF69xWR
InChI InChI=1S/C15H20O4/c16-10-9-11-5-1-4-8-14(11)19-15(18)12-6-2-3-7-13(12)17/h2-3,6-7,11,14,16-17H,1,4-5,8-10H2/t11-,14+/m1/s1
InChIKey SJRMOBYMLVBBJA-RISCZKNCSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EspPvY8UDok
Name (1S,2R)-2-(2-hydroxyethyl)cyclohexyl 2-hydroxybenzoate
Appearance Colorless oil
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Formula C15H20O4
InChI InChI=1S/C15H20O4/c16-10-9-11-5-1-4-8-14(11)19-15(18)12-6-2-3-7-13(12)17/h2-3,6-7,11,14,16-17H,1,4-5,8-10H2/t11-,14+/m1/s1
InChIKey SJRMOBYMLVBBJA-RISCZKNCSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Molecular Weight 264.321 g/mol
Optical Rotation [a]D20 = +65.4 (c = 1.1, CH2Cl2)
Quality 300
Reported Formula C15H20O4
SMILES OCC[C@]1(CCCC[C@@]1(OC(C=1C=CC=CC1O)=O)[H])[H]
SPLASH splash10-00du-9700000000-06e18cd7e2c9bf619595
Source of Spectrum QE-24-SM20-5f (DOI: 10.1002/chem.201801434)
Wiley ID 1900262