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N-[4-tert-Butyl-2,6-dimethylbenzoyl)-2-tert-Butyl-4-methyl-5-cyano-8-azabicyclo[4.2.0]octatriene
SpectraBase Compound ID 69KrxXFPWNe
InChI InChI=1S/C26H32N2O/c1-15-12-21(26(7,8)9)23-20(19(15)13-27)14-28(23)24(29)22-16(2)10-18(11-17(22)3)25(4,5)6/h10-12H,14H2,1-9H3
InChIKey KRGKCKKREKLZDW-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H32N2O
Exact Mass 388.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J57OMYgNg4I
Name N-[4-tert-Butyl-2,6-dimethylbenzoyl)-2-tert-Butyl-4-methyl-5-cyano-8-azabicyclo[4.2.0]octatriene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O
InChI InChI=1S/C26H32N2O/c1-15-12-21(26(7,8)9)23-20(19(15)13-27)14-28(23)24(29)22-16(2)10-18(11-17(22)3)25(4,5)6/h10-12H,14H2,1-9H3
InChIKey KRGKCKKREKLZDW-UHFFFAOYSA-N
Molecular Weight 388.555 g/mol
SMILES c12N(Cc1c(c(cc2C(C)(C)C)C)C#N)C(c1c(cc(cc1C)C(C)(C)C)C)=O
SPLASH splash10-000i-2609000000-304a530e356ff51e2d97
Source of Spectrum O1-32-1456-8
Synonyms 5-tert-Butyl-7-(4-tert-butyl-2,6-dimethylbenzoyl)-3-methyl-7-azabicyclo[4.2.0]octa-1,3,5-triene-2-carbonitrile
Wiley ID 819074