For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-({4-nitro-7-[4-(2-pyrimidinyl)-1-piperazinyl]-2,1,3-benzoxadiazol-5-yl}amino)-1-propanol
SpectraBase Compound ID BRQzdo6F5WH
InChI InChI=1S/C17H20N8O4/c26-10-2-5-18-12-11-13(14-15(22-29-21-14)16(12)25(27)28)23-6-8-24(9-7-23)17-19-3-1-4-20-17/h1,3-4,11,18,26H,2,5-10H2
InChIKey CWSOEGHKQGQDRW-UHFFFAOYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C17H20N8O4
Exact Mass 400.160751 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E7wfKwExkfb
Name 3-({4-nitro-7-[4-(2-pyrimidinyl)-1-piperazinyl]-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 400.160751152 u
Formula C17H20N8O4
InChI InChI=1S/C17H20N8O4/c26-10-2-5-18-12-11-13(14-15(22-29-21-14)16(12)25(27)28)23-6-8-24(9-7-23)17-19-3-1-4-20-17/h1,3-4,11,18,26H,2,5-10H2
InChIKey CWSOEGHKQGQDRW-UHFFFAOYSA-N
Molecular Weight 400.399 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1766
Solvent DMSO-d6
Source Vendor ID: NMR/12278366