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acetamide, N-(3-chloro-4-methoxyphenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID ANIT4Z3mMX9
InChI InChI=1S/C19H18ClN5O2S/c1-3-9-25-18(13-5-4-8-21-11-13)23-24-19(25)28-12-17(26)22-14-6-7-16(27-2)15(20)10-14/h3-8,10-11H,1,9,12H2,2H3,(H,22,26)
InChIKey GHIHAZNGOOLLCA-UHFFFAOYSA-N
Mol Weight 415.9 g/mol
Molecular Formula C19H18ClN5O2S
Exact Mass 415.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5VL3IctZjPR
Name acetamide, N-(3-chloro-4-methoxyphenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.086973712 u
Formula C19H18ClN5O2S
InChI InChI=1S/C19H18ClN5O2S/c1-3-9-25-18(13-5-4-8-21-11-13)23-24-19(25)28-12-17(26)22-14-6-7-16(27-2)15(20)10-14/h3-8,10-11H,1,9,12H2,2H3,(H,22,26)
InChIKey GHIHAZNGOOLLCA-UHFFFAOYSA-N
Molecular Weight 415.899 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17789
Solvent DMSO-d6
Source Vendor ID: NMR/11240313; Lab Info: SAD; Lab Number: 58