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2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-butyl-6-hydroxy-4(3H)-pyrimidinone
SpectraBase Compound ID IFTgZs0cwNQ
InChI InChI=1S/C16H25N3O3S/c1-2-3-8-12-14(21)17-16(18-15(12)22)23-11-13(20)19-9-6-4-5-7-10-19/h2-11H2,1H3,(H2,17,18,21,22)
InChIKey RPDSZNZBZWLLEV-UHFFFAOYSA-N
Mol Weight 339.45 g/mol
Molecular Formula C16H25N3O3S
Exact Mass 339.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Enq8HAGQfG
Name 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-butyl-6-hydroxy-4(3H)-pyrimidinone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.161662848 u
Formula C16H25N3O3S
InChI InChI=1S/C16H25N3O3S/c1-2-3-8-12-14(21)17-16(18-15(12)22)23-11-13(20)19-9-6-4-5-7-10-19/h2-11H2,1H3,(H2,17,18,21,22)
InChIKey RPDSZNZBZWLLEV-UHFFFAOYSA-N
Molecular Weight 339.454 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1431
Solvent DMSO-d6
Source Vendor ID: NMR/12269762