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5-(ethylsulfanyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-triene-4-carbonitrile
SpectraBase Compound ID Ah0OXkhRBdN
InChI InChI=1S/C13H15N3S/c1-2-17-13-10(8-14)7-11-12(15-13)9-3-5-16(11)6-4-9/h7,9H,2-6H2,1H3
InChIKey NIGKLMSFRPCBGX-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfHt0RUpHSc
Name 5-(ethylsulfanyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-triene-4-carbonitrile
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/C13H15N3S/c1-2-17-13-10(8-14)7-11-12(15-13)9-3-5-16(11)6-4-9/h7,9H,2-6H2,1H3
InChIKey NIGKLMSFRPCBGX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_296
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/6040420; UBI_ID: UBI-000297
Temperature 315 °C