N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide

SpectraBase Compound ID	AF5P8rvMPr5
InChI	InChI=1S/C20H25N5O3S/c1-24-13-16(25(27)28)18(23-24)19(26)22-20-15(12-21)14-10-8-6-4-2-3-5-7-9-11-17(14)29-20/h13H,2-11H2,1H3,(H,22,26)
InChIKey	XIHMKDWVGGUCST-UHFFFAOYSA-N Google Search
Mol Weight	415.51 g/mol
Molecular Formula	C20H25N5O3S
Exact Mass	415.167811 g/mol

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SpectraBase Spectrum ID	4GdkmxbX366
Name	N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
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/C20H25N5O3S/c1-24-13-16(25(27)28)18(23-24)19(26)22-20-15(12-21)14-10-8-6-4-2-3-5-7-9-11-17(14)29-20/h13H,2-11H2,1H3,(H,22,26)
InChIKey	XIHMKDWVGGUCST-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9989
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: UZI/1026123; Labnumber: JVT0517; UZI_ID: UZI-009991
Temperature	308 °C