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1,2-diphenylethyl cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID GqfauMdvrq6
InChI InChI=1S/C21H22O2/c22-21(19-14-8-3-9-15-19)23-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-14,20H,3,8-9,15-16H2
InChIKey OWBFKEZQCRCFQA-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AM7Zwz4Bmd
Name 1,2-diphenylethyl cyclohex-1-ene-1-carboxylate
Appearance Colorless solid
Carrier Gas Methane
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Exact Mass 306.161979946 u
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-21(19-14-8-3-9-15-19)23-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-14,20H,3,8-9,15-16H2
InChIKey OWBFKEZQCRCFQA-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 306.405 g/mol
Quality 200
Reported Formula C21H22O2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(=O)C1=CCCCC1
SPLASH splash10-0api-7910000000-27b144b5d38bd4510fae
Source of Spectrum QE-28-SM20-3q (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.31 (n-pentane/EtOAc, 20:1)
Wiley ID 1900692