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3-(tert-Butylamino)-5-(2,2-dimethylhydrazino)-1,1-dimethyl-1H,1,2,4-triazolinum inner salt with 2,4,6-trinitrophenol
SpectraBase Compound ID CkVMjcsLcP2
InChI InChI=1S/C10H23N6.C6H3N3O7/c1-10(2,3)12-8-11-9(13-15(4)5)16(6,7)14-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7H3,(H2,11,12,13,14);1-2,10H/q+1;/p-1
InChIKey JCWJIHYBTWXESP-UHFFFAOYSA-M
Mol Weight 455.43 g/mol
Molecular Formula C16H25N9O7
Exact Mass 455.187694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwi5KOnTkDo
Name 3-(tert-Butylamino)-5-(2,2-dimethylhydrazino)-1,1-dimethyl-1H,1,2,4-triazolinum inner salt with 2,4,6-trinitrophenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N9O7
InChI InChI=1S/C10H23N6.C6H3N3O7/c1-10(2,3)12-8-11-9(13-15(4)5)16(6,7)14-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7H3,(H2,11,12,13,14);1-2,10H/q+1;/p-1
InChIKey JCWJIHYBTWXESP-UHFFFAOYSA-M
Molecular Weight 455.432 g/mol
SMILES c1(c(c(N(=O)=O)cc(N(=O)=O)c1)[O-])N(=O)=O.N(c1nc([n+](n1)(C)C)NN(C)C)C(C)(C)C
SPLASH splash10-0bwa-9710000000-271121832ce6532dddfd
Source of Spectrum J-60-478-7
Synonyms 3-(tert-butylamino)-5-(2,2-dimethylhydrazino)-1,1-dimethyl-1H-1,2,4-triazol-1-ium 2,4,6-trinitrobenzenolate
Wiley ID 1388974