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{4-bromo-2-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl]phenoxy}acetic acid
SpectraBase Compound ID 1b9bq2JWfGd
InChI InChI=1S/C16H17BrN2O5S/c1-3-23-15(22)13-8(2)18-16(25)19-14(13)10-6-9(17)4-5-11(10)24-7-12(20)21/h4-6,14H,3,7H2,1-2H3,(H,20,21)(H2,18,19,25)
InChIKey AAIPLWNUXHWUKA-UHFFFAOYSA-N
Mol Weight 429.29 g/mol
Molecular Formula C16H17BrN2O5S
Exact Mass 428.004156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99pfJegnRmy
Name {4-bromo-2-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl]phenoxy}acetic acid
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/C16H17BrN2O5S/c1-3-23-15(22)13-8(2)18-16(25)19-14(13)10-6-9(17)4-5-11(10)24-7-12(20)21/h4-6,14H,3,7H2,1-2H3,(H,20,21)(H2,18,19,25)
InChIKey AAIPLWNUXHWUKA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34475
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: 8126879; SBI_ID: SBI-034479
Temperature 308 °C