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2-(3-Cyano-4-{(E)-2-[4-(2-ethyl-hexyloxy)-2,5-dimethyl-phenyl]-vinyl}-5,5-dimethyl-5H-furan-2-ylidene)-malononitrile
SpectraBase Compound ID 5B1LB9Q4734
InChI InChI=1S/C28H33N3O2/c1-7-9-10-21(8-2)18-32-26-14-19(3)22(13-20(26)4)11-12-25-24(17-31)27(23(15-29)16-30)33-28(25,5)6/h11-14,21H,7-10,18H2,1-6H3/b12-11+
InChIKey BIXBSQBCFASHDI-VAWYXSNFSA-N
Mol Weight 443.6 g/mol
Molecular Formula C28H33N3O2
Exact Mass 443.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qLkVTJvKRU
Name 2-(3-Cyano-4-{(E)-2-[4-(2-ethyl-hexyloxy)-2,5-dimethyl-phenyl]-vinyl}-5,5-dimethyl-5H-furan-2-ylidene)-malononitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33N3O2
InChI InChI=1S/C28H33N3O2/c1-7-9-10-21(8-2)18-32-26-14-19(3)22(13-20(26)4)11-12-25-24(17-31)27(23(15-29)16-30)33-28(25,5)6/h11-14,21H,7-10,18H2,1-6H3/b12-11+
InChIKey BIXBSQBCFASHDI-VAWYXSNFSA-N
Molecular Weight 443.591 g/mol
SMILES C=1(C(OC(C1\C=C\c1cc(C)c(cc1C)OCC(CC)CCCC)(C)C)=C(C#N)C#N)C#N
SPLASH splash10-001i-0009200000-9e55cca602159aacc316
Source of Spectrum F-65-4519-8
Synonyms 3-cyano-4-{(E)-2'-[4''-(2'''-ethyl-hexyloxy)-2'',5''-dimethylphenyl]-1'-ethenyl}-5,5-dimethyl-2-propanylidenedinitrile-2,5-dihydrofuran
Wiley ID 1680990