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cis-N-(Cyclohexylmethyl)spiro[[2]benzopyran-1,1'-cyclohexan]-4'-amine
SpectraBase Compound ID KWkGY169G8x
InChI InChI=1S/C21H29NO/c1-2-6-17(7-3-1)16-22-19-10-13-21(14-11-19)20-9-5-4-8-18(20)12-15-23-21/h4-5,8-9,12,15,17,19,22H,1-3,6-7,10-11,13-14,16H2/t19-,21+
InChIKey OJYGYOYQVVGKTL-TYKWCNGQSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDJTDTY9RPH
Name cis-N-(Cyclohexylmethyl)spiro[[2]benzopyran-1,1'-cyclohexan]-4'-amine
Appearance Colorless solid
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Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-2-6-17(7-3-1)16-22-19-10-13-21(14-11-19)20-9-5-4-8-18(20)12-15-23-21/h4-5,8-9,12,15,17,19,22H,1-3,6-7,10-11,13-14,16H2/t19-,21+
InChIKey OJYGYOYQVVGKTL-TYKWCNGQSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00449
Molecular Weight 311.469 g/mol
SMILES N([C@]1(CC[C@]2(c3c(cccc3)C=CO2)CC1)[H])CC1CCCCC1
SPLASH splash10-00b9-0983000000-f3b997491dadece8f794
Source of Spectrum AF-62-SM6-4b
Thin-Layer Chromatography Rf = 0.05 (0.5% N, N-dimethylethanamine
Wiley ID 1873900