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pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,1-dimethylethyl)-1,4-dihydro-4-(3-nitrophenyl)-
SpectraBase Compound ID LB6ToeBD99m
InChI InChI=1S/C17H17N5O3/c1-17(2,3)14-13-12(9-5-4-6-10(7-9)22(23)24)11(8-18)15(19)25-16(13)21-20-14/h4-7,12H,19H2,1-3H3,(H,20,21)
InChIKey PBQHEXMVBUKVQA-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C17H17N5O3
Exact Mass 339.133139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HpWA2vkYtxV
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,1-dimethylethyl)-1,4-dihydro-4-(3-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.133139424 u
Formula C17H17N5O3
InChI InChI=1S/C17H17N5O3/c1-17(2,3)14-13-12(9-5-4-6-10(7-9)22(23)24)11(8-18)15(19)25-16(13)21-20-14/h4-7,12H,19H2,1-3H3,(H,20,21)
InChIKey PBQHEXMVBUKVQA-UHFFFAOYSA-N
Molecular Weight 339.355 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2600
Solvent DMSO-d6
Source Vendor ID: NMR/9241334; Lab Info: L-19; Lab Number: L-19,Rozhkov
Temperature 23.85 °C