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N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID 2fmCiKP6KBp
InChI InChI=1S/C17H19N3O4S/c1-2-3-12-7-15(21)20-17(19-12)25-9-16(22)18-8-11-4-5-13-14(6-11)24-10-23-13/h4-7H,2-3,8-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKey CRBKTGGYWJAAEX-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C17H19N3O4S
Exact Mass 361.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GqlSAmq1rl
Name N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H19N3O4S/c1-2-3-12-7-15(21)20-17(19-12)25-9-16(22)18-8-11-4-5-13-14(6-11)24-10-23-13/h4-7H,2-3,8-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKey CRBKTGGYWJAAEX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32292
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: 1847457; SBI_ID: SBI-032296
Temperature 308 °C