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1-(2,4,6-Trinitro-phenyl)-3-tert-butyl-2-pyrazoline

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1-(2,4,6-Trinitro-phenyl)-3-tert-butyl-2-pyrazoline
SpectraBase Compound ID 2FA1GHp0Id9
InChI InChI=1S/C13H15N5O6/c1-13(2,3)11-4-5-15(14-11)12-9(17(21)22)6-8(16(19)20)7-10(12)18(23)24/h6-7H,4-5H2,1-3H3
InChIKey HCBRMYGFBKJLBC-UHFFFAOYSA-N
Mol Weight 337.29 g/mol
Molecular Formula C13H15N5O6
Exact Mass 337.102233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68BGj0vJgse
Name 1-(2,4,6-Trinitro-phenyl)-3-tert-butyl-2-pyrazoline
CAS Registry Number 6187-94-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H15N5O6
InChI InChI=1S/C13H15N5O6/c1-13(2,3)11-4-5-15(14-11)12-9(17(21)22)6-8(16(19)20)7-10(12)18(23)24/h6-7H,4-5H2,1-3H3
InChIKey HCBRMYGFBKJLBC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference R. Faure, J. Llinares, E.J. Vincent, Org. Magn. Resonance 12, 579 (1979).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6