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Benzyl (1R,5S,2'S)-2',6,6-trimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-2'-carboxylate
SpectraBase Compound ID 4RqNfdiHTIp
InChI InChI=1S/C20H26O2/c1-18(2)15-9-10-20(16(18)11-15)13-19(20,3)17(21)22-12-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+,19+,20?/m0/s1
InChIKey JTIQZZRMNWOOBC-ZOSRWAJXSA-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 IXVzFPJKcVv
Name Benzyl (1R,5S,2'S)-2',6,6-trimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-2'-carboxylate
Appearance Colorless oil
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Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-18(2)15-9-10-20(16(18)11-15)13-19(20,3)17(21)22-12-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+,19+,20?/m0/s1
InChIKey JTIQZZRMNWOOBC-ZOSRWAJXSA-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 C12(C[C@@]2(C(=O)OCc2ccccc2)C)CC[C@@]2(C([C@]1(C2)[H])(C)C)[H]
SPLASH splash10-0006-9020000000-ece389eace2fd7e38c34
Sample Comments dr = 10:2:1:1
Source of Spectrum ASC-362-SM22-5m'
Thin-Layer Chromatography Rf = 0.41 (n-pentane/Et2O, 30:1)
Wiley ID 1839358