(9Z)-1-butyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(3-methylphenyl)thiosemicarbazone

SpectraBase Compound ID	BblYhDklz0v
InChI	InChI=1S/C21H31N5S/c1-3-4-8-21-14-25-9-10-26(15-21)13-17(12-25)19(21)23-24-20(27)22-18-7-5-6-16(2)11-18/h5-7,11,17H,3-4,8-10,12-15H2,1-2H3,(H2,22,24,27)/b23-19-/t17-,21+
InChIKey	BUGNNYISYPCJEN-XKEMDLJMSA-N Google Search
Mol Weight	385.57 g/mol
Molecular Formula	C21H31N5S
Exact Mass	385.230017 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	8iA9KWOHdV3
Name	(9Z)-1-butyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(3-methylphenyl)thiosemicarbazone
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/C21H31N5S/c1-3-4-8-21-14-25-9-10-26(15-21)13-17(12-25)19(21)23-24-20(27)22-18-7-5-6-16(2)11-18/h5-7,11,17H,3-4,8-10,12-15H2,1-2H3,(H2,22,24,27)/b23-19-/t17-,21+
InChIKey	BUGNNYISYPCJEN-XKEMDLJMSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_16847
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/1031759; Labnumber: PRO1578; UZI_ID: UZI-016851
Synonyms	1-butyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(3-methylphenyl)thiosemicarbazone
Temperature	308 °C