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(5E)-1-butyl-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID I48BhUYrpmx
InChI InChI=1S/C15H24N4O2S/c1-2-3-10-19-14(21)12(13(20)17-15(19)22)11-16-18-8-6-4-5-7-9-18/h11,16H,2-10H2,1H3,(H,17,20,22)/b12-11+
InChIKey IEHASQOGVMMVAV-VAWYXSNFSA-N
Mol Weight 324.44 g/mol
Molecular Formula C15H24N4O2S
Exact Mass 324.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AfhXk1UZpzC
Name (5E)-1-butyl-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H24N4O2S/c1-2-3-10-19-14(21)12(13(20)17-15(19)22)11-16-18-8-6-4-5-7-9-18/h11,16H,2-10H2,1H3,(H,17,20,22)/b12-11+
InChIKey IEHASQOGVMMVAV-VAWYXSNFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17602
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: D28742; Labnumber: KKA-0211-2398; SBI_ID: SBI-017605
Synonyms 1-butyl-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C