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Methyl 3-tert-butyl-6,6,7,7-tetracyano-2-oxa-4-azabicyclo[3.2.0]heptane-4-carboxylate
SpectraBase Compound ID FoxdkWWYmtB
InChI InChI=1S/C15H15N5O3/c1-13(2,3)11-20(12(21)22-4)9-10(23-11)15(7-18,8-19)14(9,5-16)6-17/h9-11H,1-4H3
InChIKey FBQUJMVVDIPOLK-UHFFFAOYSA-N
Mol Weight 313.32 g/mol
Molecular Formula C15H15N5O3
Exact Mass 313.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RzoJcWFhYu
Name Methyl 3-tert-butyl-6,6,7,7-tetracyano-2-oxa-4-azabicyclo[3.2.0]heptane-4-carboxylate
Alternate Name(s) 3-t-Butyl-6,6,7,7-tetracyano-2-oxa-4-azabicyclo[3.2.0]heptane-4-carboxylic acid, methyl ester 3-tert-Butyl-6,6,7,7-tetracyano-4-oxa-2-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester Methyl 3-tert-butyl-6,6,7,7-tetracyano-4-oxa-2-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Registry Number 116842-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N5O3
InChI InChI=1S/C15H15N5O3/c1-13(2,3)11-20(12(21)22-4)9-10(23-11)15(7-18,8-19)14(9,5-16)6-17/h9-11H,1-4H3
InChIKey FBQUJMVVDIPOLK-UHFFFAOYSA-N
Molecular Weight 313.317 g/mol
SMILES C(#N)C1(C2OC(N(C2C1(C#N)C#N)C(=O)OC)C(C)(C)C)C#N
SPLASH splash10-054o-9500000000-aa477d90db9e6657abc1
Wiley ID 1482337