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2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-isobutyl-4,6-pyrimidinediol
SpectraBase Compound ID 4dQn5ZeoLOQ
InChI InChI=1S/C16H25N3O3S/c1-11(2)9-12-14(21)17-16(18-15(12)22)23-10-13(20)19-7-5-3-4-6-8-19/h11H,3-10H2,1-2H3,(H2,17,18,21,22)
InChIKey PXAMVHRSEUNQMS-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 JylIu5fMZYx
Name 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-isobutyl-4,6-pyrimidinediol
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/c1-11(2)9-12-14(21)17-16(18-15(12)22)23-10-13(20)19-7-5-3-4-6-8-19/h11H,3-10H2,1-2H3,(H2,17,18,21,22)
InChIKey PXAMVHRSEUNQMS-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_1434
Solvent DMSO-d6
Source Vendor ID: NMR/12269769