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3-({7-[4-(5-chloro-2-methoxybenzyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)-1-propanol
SpectraBase Compound ID A7KGsKF31ti
InChI InChI=1S/C21H25ClN6O5/c1-32-18-4-3-15(22)11-14(18)13-26-6-8-27(9-7-26)17-12-16(23-5-2-10-29)21(28(30)31)20-19(17)24-33-25-20/h3-4,11-12,23,29H,2,5-10,13H2,1H3
InChIKey NFHYUPIFNJFNPA-UHFFFAOYSA-N
Mol Weight 476.92 g/mol
Molecular Formula C21H25ClN6O5
Exact Mass 476.157496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IqRgskyYc4E
Name 3-({7-[4-(5-chloro-2-methoxybenzyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)-1-propanol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.157495624 u
Formula C21H25ClN6O5
InChI InChI=1S/C21H25ClN6O5/c1-32-18-4-3-15(22)11-14(18)13-26-6-8-27(9-7-26)17-12-16(23-5-2-10-29)21(28(30)31)20-19(17)24-33-25-20/h3-4,11-12,23,29H,2,5-10,13H2,1H3
InChIKey NFHYUPIFNJFNPA-UHFFFAOYSA-N
Molecular Weight 476.921 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1769
Solvent DMSO-d6
Source Vendor ID: NMR/12278369