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N'-[2-(2-cyano-3,3-dimethyl-1-oxobutyl)-5-(1-cyano-2,2-dimethylpropylidene)-2,5-dihydro-2-methyl-3-furanyl]-N-methyl-N-(phenylmethyl)urea

View entire compound with spectra: 2 MS (GC)

N'-[2-(2-cyano-3,3-dimethyl-1-oxobutyl)-5-(1-cyano-2,2-dimethylpropylidene)-2,5-dihydro-2-methyl-3-furanyl]-N-methyl-N-(phenylmethyl)urea
SpectraBase Compound ID IEQsyjaOXFp
InChI InChI=1S/C27H34N4O3/c1-25(2,3)19(15-28)21-14-22(27(7,34-21)23(32)20(16-29)26(4,5)6)30-24(33)31(8)17-18-12-10-9-11-13-18/h9-14,20H,17H2,1-8H3,(H,30,33)/b21-19+
InChIKey CEEPNDBGVYWZKS-XUTLUUPISA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H34N4O3
Exact Mass 462.263091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kj5HpyXyhBT
Name N'-[2-(2-cyano-3,3-dimethyl-1-oxobutyl)-5-(1-cyano-2,2-dimethylpropylidene)-2,5-dihydro-2-methyl-3-furanyl]-N-methyl-N-(phenylmethyl)urea
CAS Registry Number 91190-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N4O3
InChI InChI=1S/C27H34N4O3/c1-25(2,3)19(15-28)21-14-22(27(7,34-21)23(32)20(16-29)26(4,5)6)30-24(33)31(8)17-18-12-10-9-11-13-18/h9-14,20H,17H2,1-8H3,(H,30,33)/b21-19+
InChIKey CEEPNDBGVYWZKS-XUTLUUPISA-N
Molecular Weight 462.594 g/mol
SMILES N(C(N(Cc1ccccc1)C)=O)C=1C(O\C(=C/(C#N)C(C)(C)C)C1)(C(C(C#N)C(C)(C)C)=O)C
SPLASH splash10-01ox-9453400000-72fa41eb6d8fe4ea958d
Source of Spectrum J-49-3482-0
Synonyms Urea, N'-[2-(2-cyano-3,3-dimethyl-1-oxobutyl)-5-(1-cyano-2,2-dimethylpropyl idene)-2,5-dihydro-2-methyl-3-furanyl]-N-methyl-N-(phenylmethyl)- Adduct of 2-(N-benzyl-N-methylamino)-4,5-dimethyl-1,3-oxazole and t-butylcyanoketene N-benzyl-N'-[(5Z)-2-(2-cyano-3,3-dimethylbutanoyl)-5-(1-cyano-2,2-dimethylpropylidene)-2-methyl-2,5-dihydro-3-furanyl]-N-methylurea
Wiley ID 1391108