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acetic acid, [[[(Z)-[(4,6-dimethyl-2-pyrimidinyl)amino][(1H-1,2,4-triazol-5-ylsulfonyl)amino]methylidene]amino]oxy]-, ethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[[(Z)-[(4,6-dimethyl-2-pyrimidinyl)amino][(1H-1,2,4-triazol-5-ylsulfonyl)amino]methylidene]amino]oxy]-, ethyl ester
SpectraBase Compound ID 7K0xUUjOsZg
InChI InChI=1S/C13H18N8O5S/c1-4-25-10(22)6-26-20-12(18-11-16-8(2)5-9(3)17-11)21-27(23,24)13-14-7-15-19-13/h5,7H,4,6H2,1-3H3,(H,14,15,19)(H2,16,17,18,20,21)
InChIKey CBMZKWYIZRNPER-UHFFFAOYSA-N
Mol Weight 398.4 g/mol
Molecular Formula C13H18N8O5S
Exact Mass 398.112087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ajVZyddPxW
Name acetic acid, [[[(Z)-[(4,6-dimethyl-2-pyrimidinyl)amino][(1H-1,2,4-triazol-5-ylsulfonyl)amino]methylidene]amino]oxy]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.112086881 u
Formula C13H18N8O5S
InChI InChI=1S/C13H18N8O5S/c1-4-25-10(22)6-26-20-12(18-11-16-8(2)5-9(3)17-11)21-27(23,24)13-14-7-15-19-13/h5,7H,4,6H2,1-3H3,(H,14,15,19)(H2,16,17,18,20,21)
InChIKey CBMZKWYIZRNPER-UHFFFAOYSA-N
Molecular Weight 398.398 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2086
Solvent DMSO-d6
Source Vendor ID: NMR/9244361; Lab Info: KE; Lab Number: KE-0000806
Temperature 29.85 °C