(4R*,4A-S*,8A-R*)-(+/-)-2-PHENYL-4-(4-NITROPHENYL)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-1,8-DIOXA-NAPHTHO-3-CARBONITRILE - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	I7HgaaelaLq
InChI	InChI=1S/C21H18N2O4/c22-13-18-19(14-8-10-16(11-9-14)23(24)25)17-7-4-12-26-21(17)27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12H2/t17-,19-,21+/m0/s1
InChIKey	LITLDAZBFVNTJS-HFSMHLIXSA-N Google Search
Mol Weight	362.39 g/mol
Molecular Formula	C21H18N2O4
Exact Mass	362.126657 g/mol

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SpectraBase Spectrum ID	FL8vu7kDWcx
Name	(4R,4aS,8aR)-4-(4-nitrophenyl)-2-phenyl-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran-3-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18N2O4
InChI	InChI=1S/C21H18N2O4/c22-13-18-19(14-8-10-16(11-9-14)23(24)25)17-7-4-12-26-21(17)27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12H2/t17-,19-,21+/m0/s1
InChIKey	LITLDAZBFVNTJS-HFSMHLIXSA-N
Molecular Weight	362.385 g/mol
SMILES	C1(=C(O[C@@]2([C@]([C@@]1(c1ccc(N(=O)=O)cc1)[H])(CCCO2)[H])[H])c1ccccc1)C#N
SPLASH	splash10-001i-9000000000-b22c07cb794c0e5aba91
Source of Spectrum	AH-128-1170-6
Wiley ID	1349686