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2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-isopropyl-4(3H)-pyrimidinone
SpectraBase Compound ID 7ccLNmekFND
InChI InChI=1S/C15H23N3O3S/c1-10(2)12-13(20)16-15(17-14(12)21)22-9-11(19)18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3,(H2,16,17,20,21)
InChIKey XQIOCGZSHCXVTQ-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C15H23N3O3S
Exact Mass 325.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 29gKCT2TvFc
Name 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-isopropyl-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 325.146012784 u
Formula C15H23N3O3S
InChI InChI=1S/C15H23N3O3S/c1-10(2)12-13(20)16-15(17-14(12)21)22-9-11(19)18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3,(H2,16,17,20,21)
InChIKey XQIOCGZSHCXVTQ-UHFFFAOYSA-N
Molecular Weight 325.427 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1428
Solvent DMSO-d6
Source Vendor ID: NMR/12269758