SpectraBase Spectrum ID |
CLx049YNexj |
Name |
7-chloro-5-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazole |
Author |
A.V.Yarkov, IPAC, Russia |
Copyright |
Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved. |
InChI |
InChI=1S/C12H13ClN4O3/c13-8-7-9(16-5-3-1-2-4-6-16)12(17(18)19)11-10(8)14-20-15-11/h7H,1-6H2 |
InChIKey |
KCAQWGCPKOACRC-UHFFFAOYSA-N |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_12263 |
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: D69100; Labnumber: LEVRSB-021; SBI_ID: SBI-012266 |
Temperature |
306 °C |