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trans-N-(Cyclohexylmethyl)spiro[[2]benzopyran-1,1'-cyclohexan]-4'-amine
SpectraBase Compound ID EdIWQKDk0zL
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-XUTJKUGGSA-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 FzkHkJg9BXj
Name trans-N-(Cyclohexylmethyl)spiro[[2]benzopyran-1,1'-cyclohexan]-4'-amine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-XUTJKUGGSA-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 splash10-0fmi-0931000000-a432d668fe4a54940a55
Source of Spectrum AF-62-SM6-4a
Thin-Layer Chromatography Rf = 0.18 (0.5% N, N-dimethylethanamine
Wiley ID 1873899