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(5.alpha.,6.beta.,7.beta.,12.alpha.)-2,9-bis-[(E)-2,2-dimethylpropylidene]-6,12-bis(4-nitrophenyl)dispiro[4.1.4.1]dodecane-1,8-dione
SpectraBase Compound ID 7prw2BqWOu0
InChI InChI=1S/C34H38N2O6/c1-31(2,3)19-23-15-17-33(29(23)37)27(21-7-11-25(12-8-21)35(39)40)34(18-16-24(30(34)38)20-32(4,5)6)28(33)22-9-13-26(14-10-22)36(41)42/h7-14,19-20,27-28H,15-18H2,1-6H3/b23-19+,24-20+/t27-,28-,33-,34-
InChIKey YRFHEYRYZPHHSD-MHHQVKCHSA-N
Mol Weight 570.7 g/mol
Molecular Formula C34H38N2O6
Exact Mass 570.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1U5zJwNmTpw
Name (5.alpha.,6.beta.,7.beta.,12.alpha.)-2,9-bis-[(E)-2,2-dimethylpropylidene]-6,12-bis(4-nitrophenyl)dispiro[4.1.4.1]dodecane-1,8-dione
CAS Registry Number 106115-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38N2O6
InChI InChI=1S/C34H38N2O6/c1-31(2,3)19-23-15-17-33(29(23)37)27(21-7-11-25(12-8-21)35(39)40)34(18-16-24(30(34)38)20-32(4,5)6)28(33)22-9-13-26(14-10-22)36(41)42/h7-14,19-20,27-28H,15-18H2,1-6H3/b23-19+,24-20+/t27-,28-,33-,34-
InChIKey YRFHEYRYZPHHSD-MHHQVKCHSA-N
Molecular Weight 570.686 g/mol
SMILES [C@]12([C@@](c3ccc(N(=O)=O)cc3)([C@@]3([C@@]1(c1ccc(N(=O)=O)cc1)[H])C(\C(=C\C(C)(C)C)CC3)=O)[H])C(\C(=C\C(C)(C)C)CC2)=O
SPLASH splash10-000i-0090000000-725b2d4166300cc48248
Source of Spectrum K-120-392-8
Synonyms (2E,9E)-2,9-bis(2,2-dimethylpropylidene)-6,12-bis(4-nitrophenyl)dispiro[4.1.4.1]dodecane-1,8-dione
Wiley ID 1407730