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5-Amino-N-(tert-butylimino)-1-(4-nitrophenyl)-1,2,3-triazol-4-imine oxide

View entire compound with spectra: 1 NMR

5-Amino-N-(tert-butylimino)-1-(4-nitrophenyl)-1,2,3-triazol-4-imine oxide
SpectraBase Compound ID Cx77pMb295L
InChI InChI=1S/C12H15N7O3/c1-12(2,3)15-18(20)11-10(13)17(16-14-11)8-4-6-9(7-5-8)19(21)22/h4-7H,13H2,1-3H3/b18-15+
InChIKey XRWASIGUBZUHNQ-OBGWFSINSA-N
Mol Weight 305.3 g/mol
Molecular Formula C12H15N7O3
Exact Mass 305.123637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6axkKQkSN7
Name 5-Amino-N-(tert-butylimino)-1-(4-nitrophenyl)-1,2,3-triazol-4-imine oxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.123637368 u
Formula C12H15N7O3
InChI InChI=1S/C12H15N7O3/c1-12(2,3)15-18(20)11-10(13)17(16-14-11)8-4-6-9(7-5-8)19(21)22/h4-7H,13H2,1-3H3/b18-15+
InChIKey XRWASIGUBZUHNQ-OBGWFSINSA-N
Molecular Weight 305.298 g/mol
SMILES C=1(N=NN(C1N)C1=CC=C(C=C1)N(=O)=O)N(=NC(C)(C)C)=O