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(4R*,4aS*,8aR*)-2,4-Diphenyl-1,4,4a,5,6,7,8,8a-octahydro-1,8-dioxanaphtho-3-carbonitrile
SpectraBase Compound ID 4YewAUnoIr
InChI InChI=1S/C21H19NO2/c22-14-18-19(15-8-3-1-4-9-15)17-12-7-13-23-21(17)24-20(18)16-10-5-2-6-11-16/h1-6,8-11,17,19,21H,7,12-13H2/t17-,19-,21+/m0/s1
InChIKey LBJGBQUQVTZUFE-HFSMHLIXSA-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 GcnrEW8ilyy
Name (4R*,4aS*,8aR*)-2,4-Diphenyl-1,4,4a,5,6,7,8,8a-octahydro-1,8-dioxanaphtho-3-carbonitrile
Alternate Name(s) (4aS,5R,8aR)-5,7-diphenyl-3,4,4a,8a-tetrahydro-2H,5H-pyrano[2,3-b]pyran-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2
InChI InChI=1S/C21H19NO2/c22-14-18-19(15-8-3-1-4-9-15)17-12-7-13-23-21(17)24-20(18)16-10-5-2-6-11-16/h1-6,8-11,17,19,21H,7,12-13H2/t17-,19-,21+/m0/s1
InChIKey LBJGBQUQVTZUFE-HFSMHLIXSA-N
Molecular Weight 317.388 g/mol
SMILES C1(=C(O[C@@]2([C@]([C@@]1(c1ccccc1)[H])(CCCO2)[H])[H])c1ccccc1)C#N
SPLASH splash10-001i-9111000000-9505465699310e042903
Source of Spectrum AH-128-1169-6
Wiley ID 1317876