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5-[(hexahydro-1H-azepin-1-ylamino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3a2Yv2NR2rj
InChI InChI=1S/C11H16N4O2S/c16-9-8(10(17)14-11(18)13-9)7-12-15-5-3-1-2-4-6-15/h7,12H,1-6H2,(H2,13,14,16,17,18)
InChIKey VXBMHWSCTPIOCF-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C11H16N4O2S
Exact Mass 268.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IriAxGLmH7O
Name 5-[(hexahydro-1H-azepin-1-ylamino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C11H16N4O2S/c16-9-8(10(17)14-11(18)13-9)7-12-15-5-3-1-2-4-6-15/h7,12H,1-6H2,(H2,13,14,16,17,18)
InChIKey VXBMHWSCTPIOCF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17598
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: D28734; Labnumber: KKA-0211-2150; SBI_ID: SBI-017601
Temperature 308 °C