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1-(tert-Butoxycarbonyl)-3-methyl-4-[(4-(N',N'-dimethylamino)phenylimino)-N-oxide]-1H-pyrazol-5(4H)-one
SpectraBase Compound ID 977tCuV7HF3
InChI InChI=1S/C17H22N4O4/c1-11-14(15(22)20(18-11)16(23)25-17(2,3)4)21(24)13-9-7-12(8-10-13)19(5)6/h7-10H,1-6H3/b21-14+
InChIKey YKOFVGXYZOSKOI-KGENOOAVSA-N
Mol Weight 346.39 g/mol
Molecular Formula C17H22N4O4
Exact Mass 346.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmCGTAxl1dQ
Name 1-(tert-Butoxycarbonyl)-3-methyl-4-[(4-(N',N'-dimethylamino)phenylimino)-N-oxide]-1H-pyrazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O4
InChI InChI=1S/C17H22N4O4/c1-11-14(15(22)20(18-11)16(23)25-17(2,3)4)21(24)13-9-7-12(8-10-13)19(5)6/h7-10H,1-6H3/b21-14+
InChIKey YKOFVGXYZOSKOI-KGENOOAVSA-N
Molecular Weight 346.387 g/mol
SMILES C1(N(N=C(\C1=[N+]/(c1ccc(cc1)N(C)C)[O-])C)C(OC(C)(C)C)=O)=O
SPLASH splash10-001j-0092000000-a5efecb97814da68b090
Source of Spectrum F-53-1475-4
Wiley ID 800290