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

SpectraBase Compound ID	IpEKlM0e8ua
InChI	InChI=1S/C26H29N5O3S/c27-15-23-22-12-7-5-3-1-2-4-6-8-13-24(22)35-26(23)29-25(32)20-11-9-10-19(14-20)17-30-18-21(16-28-30)31(33)34/h9-11,14,16,18H,1-8,12-13,17H2,(H,29,32)
InChIKey	FEVJLGSSGMHUJK-UHFFFAOYSA-N Google Search
Mol Weight	491.61 g/mol
Molecular Formula	C26H29N5O3S
Exact Mass	491.199111 g/mol

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SpectraBase Spectrum ID	I4Ag2MwCiv4
Name	N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
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/C26H29N5O3S/c27-15-23-22-12-7-5-3-1-2-4-6-8-13-24(22)35-26(23)29-25(32)20-11-9-10-19(14-20)17-30-18-21(16-28-30)31(33)34/h9-11,14,16,18H,1-8,12-13,17H2,(H,29,32)
InChIKey	FEVJLGSSGMHUJK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_16983
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/1026408; Labnumber: SAP5110; UZI_ID: UZI-016987
Temperature	308 °C