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

Compound with spectra: 1 NMR

(1S,2S,5R)-2-(4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID FgswBoMy2c9
InChI InChI=1S/C21H18ClN3O3S/c22-15-8-6-14(7-9-15)19-23-25(16-10-17(26)20-27-12-18(16)28-20)21(29)24(19)11-13-4-2-1-3-5-13/h1-9,16,18,20H,10-12H2/t16-,18+,20+/m0/s1
InChIKey KKBPAKFIAOEJAZ-ILZDJORESA-N
Mol Weight 427.91 g/mol
Molecular Formula C21H18ClN3O3S
Exact Mass 427.07574 g/mol
Enantiomer InChIKey KKBPAKFIAOEJAZ-KPFFTGBYSA-N

View Spectrum of (1S,2S,5R)-2-(4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

1H NMR Spectrum
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3
2-(4-allyl-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-(2-furanyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
(1R,5S)-2-(3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
(1R,2R,5S)-2-(3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
4-Allyl-5-(2-chlorophenyl)-2-(7,8-dioxabicyclo[3.2.1]octan-4-yl)-1,2,4-triazole-3-thione
2-(3-benzyl-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
5-[4-(4-keto-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-thioxo-tetrazol-1-yl]phthalide
(1S,5R)-2-(4-(naphthalen-1-yl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
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