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(1S,5R)-2-(3-(3,4-dimethoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

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(1S,5R)-2-(3-(3,4-dimethoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID GVNPNiMByls
InChI InChI=1S/C17H19N3O5S/c1-19-15(9-4-5-12(22-2)13(6-9)23-3)18-20(17(19)26)10-7-11(21)16-24-8-14(10)25-16/h4-6,10,14,16H,7-8H2,1-3H3/t10?,14-,16-/m1/s1
InChIKey OQDXKSZHLOFCJZ-ITCOCZBTSA-N
Mol Weight 377.42 g/mol
Molecular Formula C17H19N3O5S
Exact Mass 377.104542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mBOW3PgVsY
Name (1S,5R)-2-(3-(3,4-dimethoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.104541893 u
Formula C17H19N3O5S
InChI InChI=1S/C17H19N3O5S/c1-19-15(9-4-5-12(22-2)13(6-9)23-3)18-20(17(19)26)10-7-11(21)16-24-8-14(10)25-16/h4-6,10,14,16H,7-8H2,1-3H3/t10?,14-,16-/m1/s1
InChIKey OQDXKSZHLOFCJZ-ITCOCZBTSA-N
Molecular Weight 377.415 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2827
Solvent DMSO-d6
Source Vendor ID: NMR/9264085; Lab Info: LP; Lab Number: LP-L000024
Temperature 23.85 °C