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acetic acid, [[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-, propyl ester
SpectraBase Compound ID CQez7ysmeaP
InChI InChI=1S/C18H15ClN4O2S/c1-2-7-25-15(24)10-26-18-13(9-21)16(12(8-20)17(22)23-18)11-5-3-4-6-14(11)19/h3-6H,2,7,10H2,1H3,(H2,22,23)
InChIKey YOGXJKNUVJMMRT-UHFFFAOYSA-N
Mol Weight 386.86 g/mol
Molecular Formula C18H15ClN4O2S
Exact Mass 386.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ld2rJBcxGjJ
Name acetic acid, [[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-, propyl 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 386.060424611 u
Formula C18H15ClN4O2S
InChI InChI=1S/C18H15ClN4O2S/c1-2-7-25-15(24)10-26-18-13(9-21)16(12(8-20)17(22)23-18)11-5-3-4-6-14(11)19/h3-6H,2,7,10H2,1H3,(H2,22,23)
InChIKey YOGXJKNUVJMMRT-UHFFFAOYSA-N
Molecular Weight 386.857 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6070
Solvent DMSO-d6
Source Vendor ID: NMR/10211959; Lab Info: KR; Lab Number: KR-KSG1G73
Temperature 23.85 °C