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N-tert-Butyl-2,3-dicyano-1,4,5a,6,7,8,9,9a-octahydrospiro[benzo[e][1,4]diazepine-5,1'-cyclohexane]-9a-carboxamide
SpectraBase Compound ID A1xgYmfnfpT
InChI InChI=1S/C21H31N5O/c1-19(2,3)26-18(27)21-12-8-5-9-17(21)20(10-6-4-7-11-20)24-15(13-22)16(14-23)25-21/h17,24-25H,4-12H2,1-3H3,(H,26,27)
InChIKey RKIILSCZDDYAFA-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C21H31N5O
Exact Mass 369.252861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B00w2ewrnJg
Name N-tert-Butyl-2,3-dicyano-1,4,5a,6,7,8,9,9a-octahydrospiro[benzo[e][1,4]diazepine-5,1'-cyclohexane]-9a-carboxamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N5O
InChI InChI=1S/C21H31N5O/c1-19(2,3)26-18(27)21-12-8-5-9-17(21)20(10-6-4-7-11-20)24-15(13-22)16(14-23)25-21/h17,24-25H,4-12H2,1-3H3,(H,26,27)
InChIKey RKIILSCZDDYAFA-UHFFFAOYSA-N
Molecular Weight 369.513 g/mol
SMILES N1C2(C3C(C(=O)NC(C)(C)C)(NC(=C1C#N)C#N)CCCC3)CCCCC2
SPLASH splash10-014i-9072000000-048aa2aec72a71f1afd1
Source of Spectrum F-68-7832-4n
Wiley ID 1717570