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

View entire compound with spectra: 1 NMR

(1S,2S,5R)-2-(3-(4-methoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 9LwrqSkT5Zj
InChI InChI=1S/C21H19N3O4S/c1-26-15-9-7-13(8-10-15)19-22-24(16-11-17(25)20-27-12-18(16)28-20)21(29)23(19)14-5-3-2-4-6-14/h2-10,16,18,20H,11-12H2,1H3/t16-,18+,20+/m0/s1
InChIKey CCQGEQHRADNQBZ-ILZDJORESA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HtxSSg71dxM
Name (1S,2S,5R)-2-(3-(4-methoxyphenyl)-4-phenyl-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 409.109627274 u
Formula C21H19N3O4S
InChI InChI=1S/C21H19N3O4S/c1-26-15-9-7-13(8-10-15)19-22-24(16-11-17(25)20-27-12-18(16)28-20)21(29)23(19)14-5-3-2-4-6-14/h2-10,16,18,20H,11-12H2,1H3/t16-,18+,20+/m0/s1
InChIKey CCQGEQHRADNQBZ-ILZDJORESA-N
Molecular Weight 409.460 g/mol
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_293
Solvent CDCl3
Source Vendor ID: NMR/8315259; Lab Info: LP; Lab Number: LP-L-14
Temperature 23.85 °C