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ethyl 4-amino-2-[(4-bromobenzyl)sulfanyl]-5-pyrimidinecarboxylate
SpectraBase Compound ID LKXR0Qlauow
InChI InChI=1S/C14H14BrN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H2,16,17,18)
InChIKey GXIXTZJXNFJWOP-UHFFFAOYSA-N
Mol Weight 368.25 g/mol
Molecular Formula C14H14BrN3O2S
Exact Mass 366.999011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I64c2o0lGXO
Name ethyl 4-amino-2-[(4-bromobenzyl)sulfanyl]-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/C14H14BrN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H2,16,17,18)
InChIKey GXIXTZJXNFJWOP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6872
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: D27074; Labnumber: VGU-0018787; SBI_ID: SBI-006875
Temperature 308 °C