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3-[(4-methyl-1-piperidinyl)methyl]-2-thioxo-2,3,6,7-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
SpectraBase Compound ID GYCM2p2ieyI
InChI InChI=1S/C13H20N4OS2/c1-10-4-7-15(8-5-10)9-17-13(19)20-12-14-11(18)3-2-6-16(12)17/h10H,2-9H2,1H3
InChIKey XBWJYBYXCNCKOV-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C13H20N4OS2
Exact Mass 312.107854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JvapuKpZmMV
Name 3-[(4-methyl-1-piperidinyl)methyl]-2-thioxo-2,3,6,7-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.107853627 u
Formula C13H20N4OS2
InChI InChI=1S/C13H20N4OS2/c1-10-4-7-15(8-5-10)9-17-13(19)20-12-14-11(18)3-2-6-16(12)17/h10H,2-9H2,1H3
InChIKey XBWJYBYXCNCKOV-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1284
Solvent DMSO-d6
Source Vendor ID: NMR/12269475