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3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-propanol
SpectraBase Compound ID Is87k0gWytR
InChI InChI=1S/C9H9ClN4O4/c10-5-4-6(11-2-1-3-15)9(14(16)17)8-7(5)12-18-13-8/h4,11,15H,1-3H2
InChIKey MEDGYQJLQCPHTI-UHFFFAOYSA-N
Mol Weight 272.65 g/mol
Molecular Formula C9H9ClN4O4
Exact Mass 272.031232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41vfA3yFN76
Name 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-propanol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H9ClN4O4/c10-5-4-6(11-2-1-3-15)9(14(16)17)8-7(5)12-18-13-8/h4,11,15H,1-3H2
InChIKey MEDGYQJLQCPHTI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12264
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D69101; Labnumber: LEVRSB-022; SBI_ID: SBI-012267
Temperature 306 °C