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(9Z)-1-isopropyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(1-phenylethyl)thiosemicarbazone
SpectraBase Compound ID DSyJW59wa3t
InChI InChI=1S/C21H31N5S/c1-15(2)21-13-25-9-10-26(14-21)12-18(11-25)19(21)23-24-20(27)22-16(3)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3,(H2,22,24,27)/b23-19-/t16?,18-,21+
InChIKey OFWAPYSLHCQOPC-HWBWWSCQSA-N
Mol Weight 385.57 g/mol
Molecular Formula C21H31N5S
Exact Mass 385.230017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kif5gftEGG
Name (9Z)-1-isopropyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(1-phenylethyl)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/c1-15(2)21-13-25-9-10-26(14-21)12-18(11-25)19(21)23-24-20(27)22-16(3)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3,(H2,22,24,27)/b23-19-/t16?,18-,21+
InChIKey OFWAPYSLHCQOPC-HWBWWSCQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16846
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/1030089; Labnumber: PRO1577; UZI_ID: UZI-016850
Synonyms 1-isopropyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one N-(1-phenylethyl)thiosemicarbazone
Temperature 308 °C