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2-(5-(5-[Cyano-(9,9-dimethyl-1,4-dioxa-7-aza-spiro[4.4]non-7-en-8-yl)-methylene]-3,3-dimethylpyrrolidin-2-ylidenemethyl)-3,3-dimethyl-.delta.1-pyrrolin-5-ylidenemethyl-4,4,5-trimethyl-.delta.1-pyrroline-5-carbonitrile]
SpectraBase Compound ID 5EgtV6MymMy
InChI InChI=1S/C32H42N6O2/c1-27(2)14-20(36-24(27)13-21-15-29(5,6)31(9,18-34)38-21)12-25-28(3,4)16-23(37-25)22(17-33)26-30(7,8)32(19-35-26)39-10-11-40-32/h12-13,37H,10-11,14-16,19H2,1-9H3/b23-22-,24-13-,25-12+
InChIKey XXBWQSMVSIZXEN-IPSXVWRMSA-N
Mol Weight 542.7 g/mol
Molecular Formula C32H42N6O2
Exact Mass 542.336925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5o9KxmLUGI5
Name 2-(5-(5-[Cyano-(9,9-dimethyl-1,4-dioxa-7-aza-spiro[4.4]non-7-en-8-yl)-methylene]-3,3-dimethylpyrrolidin-2-ylidenemethyl)-3,3-dimethyl-.delta.1-pyrrolin-5-ylidenemethyl-4,4,5-trimethyl-.delta.1-pyrroline-5-carbonitrile]
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H42N6O2
InChI InChI=1S/C32H42N6O2/c1-27(2)14-20(36-24(27)13-21-15-29(5,6)31(9,18-34)38-21)12-25-28(3,4)16-23(37-25)22(17-33)26-30(7,8)32(19-35-26)39-10-11-40-32/h12-13,37H,10-11,14-16,19H2,1-9H3/b23-22-,24-13-,25-12+
InChIKey XXBWQSMVSIZXEN-IPSXVWRMSA-N
Molecular Weight 542.728 g/mol
SMILES N1\C(C(C\C1=C\(C#N)C=1C(C)(C)C2(OCCO2)CN1)(C)C)=C\C=1CC(C)(C)\C(=C\C=2CC(C)(C(N2)(C)C#N)C)N1
SPLASH splash10-0fdo-9741020000-fd2ca5a5b0ed55810320
Synonyms 5-((Z)-[5-((E)-((5E)-5-[Cyano(9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]non-7-en-8-yl)methylene]-3,3-dimethylpyrrolidinylidene)methyl)-3,3-dimethyl-3,4-dihydro-2H-pyrrol-2-ylidene]methyl)-2,3,3-trimethyl-
Wiley ID 1487991