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Furo[4,3,2-kl]xanthene-2-carbonitrile, 2,2a,3,4,5,5a,10b,10c-hexahydro-2-phenyl-, (2.alpha.,2a.beta.,5a.beta.,10b.alpha.,10c.beta.)-
SpectraBase Compound ID CCYPFpWRSWe
InChI InChI=1S/C21H19NO2/c22-13-21(14-7-2-1-3-8-14)16-10-6-12-18-19(16)20(24-21)15-9-4-5-11-17(15)23-18/h1-5,7-9,11,16,18-20H,6,10,12H2/t16-,18+,19-,20-,21-/m0/s1
InChIKey HNGMTCUGXRNEGZ-WTNASJBWSA-N
Mol Weight 317.39 g/mol
Molecular Formula C21H19NO2
Exact Mass 317.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HlY7g20uux
Name Furo[4,3,2-kl]xanthene-2-carbonitrile, 2,2a,3,4,5,5a,10b,10c-hexahydro-2-phenyl-, (2.alpha.,2a.beta.,5a.beta.,10b.alpha.,10c.beta.)-
Alternate Name(s) (2.alpha.,3.alpha.,3a.alpha.,4.alpha.,9b.beta.)-2,3,3a,9b-tetrahydro-2-phenyl-3,4-propano-4H-furo[3,2c][l]benzopyran-2-carbonitrile (2R,2aS,5aR,10bR,10cS)-2-phenyl-2,2a,3,4,5,5a,10b,10c-octahydrofuro[4,3,2-kl]xanthene-2-carbonitrile
CAS Registry Number 86708-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2
InChI InChI=1S/C21H19NO2/c22-13-21(14-7-2-1-3-8-14)16-10-6-12-18-19(16)20(24-21)15-9-4-5-11-17(15)23-18/h1-5,7-9,11,16,18-20H,6,10,12H2/t16-,18+,19-,20-,21-/m0/s1
InChIKey HNGMTCUGXRNEGZ-WTNASJBWSA-N
Molecular Weight 317.388 g/mol
SMILES [C@]1(O[C@]2(c3c(cccc3)O[C@]3([C@@]2([C@@]1(CCC3)[H])[H])[H])[H])(C#N)c1ccccc1
SPLASH splash10-014i-1903000000-1fab78a604bb88c68bd3
Source of Spectrum K-116-2389-0
Wiley ID 1317864