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2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID DqnoQKQKRWJ
InChI InChI=1S/C18H21BrN2O5S/c1-4-27-6-5-24-17(22)15-10(2)21(3)18(23)20-16(15)11-7-13-14(8-12(11)19)26-9-25-13/h7-8,16H,4-6,9H2,1-3H3,(H,20,23)
InChIKey UDWBZKZHZDAIPN-UHFFFAOYSA-N
Mol Weight 457.34 g/mol
Molecular Formula C18H21BrN2O5S
Exact Mass 456.035456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E2PBwsl70EX
Name 2-(ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
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/C18H21BrN2O5S/c1-4-27-6-5-24-17(22)15-10(2)21(3)18(23)20-16(15)11-7-13-14(8-12(11)19)26-9-25-13/h7-8,16H,4-6,9H2,1-3H3,(H,20,23)
InChIKey UDWBZKZHZDAIPN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18370
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: UZI/9091171; Labnumber: TSS0000980; UZI_ID: UZI-018377
Temperature 318 °C