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1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-alpha-[[3,5-dibromo-2-(2-propenyloxy)phenyl]methylene]-
SpectraBase Compound ID In1TTZZttWe
InChI InChI=1S/C16H11Br2N5O/c1-2-3-24-15-9(5-11(17)6-13(15)18)4-10(7-19)14-12(8-20)16(21)23-22-14/h2,4-6H,1,3H2,(H3,21,22,23)/b10-4+
InChIKey RBZPMPAYRJFRNO-ONNFQVAWSA-N
Mol Weight 449.11 g/mol
Molecular Formula C16H11Br2N5O
Exact Mass 446.933036 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H59naE6uNsm
Name 1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-alpha-[[3,5-dibromo-2-(2-propenyloxy)phenyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.933035993 u
Formula C16H11Br2N5O
InChI InChI=1S/C16H11Br2N5O/c1-2-3-24-15-9(5-11(17)6-13(15)18)4-10(7-19)14-12(8-20)16(21)23-22-14/h2,4-6H,1,3H2,(H3,21,22,23)/b10-4+
InChIKey RBZPMPAYRJFRNO-ONNFQVAWSA-N
Molecular Weight 449.106 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3383
Solvent DMSO-d6
Source Vendor ID: NMR/9278139; Lab Number: BAS 0858119
Temperature 29.85 °C