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8a-Hydroxy-2-(p-nitrophenyl)-2'-oxo-3'-(p-nitrobenzylidene)-4a,5,6,7,8,8a-hexahydrochroman-3-spirocyclopentane
SpectraBase Compound ID D8ppSn5kS8k
InChI InChI=1S/C26H26N2O7/c29-23-19(15-17-4-8-21(9-5-17)27(31)32)12-14-25(23)16-20-3-1-2-13-26(20,30)35-24(25)18-6-10-22(11-7-18)28(33)34/h4-11,15,20,24,30H,1-3,12-14,16H2/b19-15+
InChIKey RQSSZUNRONENJF-XDJHFCHBSA-N
Mol Weight 478.5 g/mol
Molecular Formula C26H26N2O7
Exact Mass 478.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gTqaeUBrcg
Name 8a-Hydroxy-2-(p-nitrophenyl)-2'-oxo-3'-(p-nitrobenzylidene)-4a,5,6,7,8,8a-hexahydrochroman-3-spirocyclopentane
Alternate Name(s) (5'E)-8a-hydroxy-2-(4-nitrophenyl)-5'-[(4-nitrophenyl)methylidene]-1'-spiro[4,4a,5,6,7,8-hexahydro-2H-1-benzopyran-3,2'-cyclopentane]one (5'E)-8a-hydroxy-2-(4-nitrophenyl)-5'-[(4-nitrophenyl)methylidene]spiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one (5'E)-8a-hydroxy-2-(4-nitrophenyl)-5'-[(4-nitrophenyl)methylene]spiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one (5'E)-2-(4-nitrophenyl)-5'-[(4-nitrophenyl)methylidene]-8a-oxidanyl-spiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one
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Formula C26H26N2O7
InChI InChI=1S/C26H26N2O7/c29-23-19(15-17-4-8-21(9-5-17)27(31)32)12-14-25(23)16-20-3-1-2-13-26(20,30)35-24(25)18-6-10-22(11-7-18)28(33)34/h4-11,15,20,24,30H,1-3,12-14,16H2/b19-15+
InChIKey RQSSZUNRONENJF-XDJHFCHBSA-N
Molecular Weight 478.501 g/mol
SMILES OC12C(CC3(C(\C(=C\c4ccc(N(=O)=O)cc4)CC3)=O)C(O1)c1ccc(N(=O)=O)cc1)CCCC2
SPLASH splash10-0ugi-0693100000-b85bc922fd47301b49f6
Source of Spectrum O1-29-244-10
Wiley ID 818461