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Benzyl (1S,2R)-1,2-dimethyl-2-((S)-4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID Bep7gfowZJ8
InChI InChI=1S/C20H26O2/c1-15-9-11-17(12-10-15)19(2)14-20(19,3)18(21)22-13-16-7-5-4-6-8-16/h4-9,17H,10-14H2,1-3H3/t17-,19-,20-/m1/s1
InChIKey XSTNQKQRTHDZPS-MISYRCLQSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID j9sj8iGg3i
Name Benzyl (1S,2R)-1,2-dimethyl-2-((S)-4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
Appearance Colorless oil
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Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-15-9-11-17(12-10-15)19(2)14-20(19,3)18(21)22-13-16-7-5-4-6-8-16/h4-9,17H,10-14H2,1-3H3/t17-,19-,20-/m1/s1
InChIKey XSTNQKQRTHDZPS-MISYRCLQSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000512
Molecular Weight 298.426 g/mol
Reported Formula C20H26O2
SMILES [C@]1(C[C@@]1(C(=O)OCc1ccccc1)C)([C@@]1(CC=C(CC1)C)[H])C
SPLASH splash10-0006-9010000000-9d3aa1b07e2dfaa2ab7f
Sample Comments dr = 1:1:1
Source of Spectrum ASC-362-SM21-5l'
Thin-Layer Chromatography Rf = 0.40 (n-pentane/Et2O, 30:1)
Wiley ID 1839357