For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,2R,5S)-2-(3-((3,4-dimethylphenoxy)methyl)-4-methyl-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

(1R,2R,5S)-2-(3-((3,4-dimethylphenoxy)methyl)-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 56Cu261bhcf
InChI InChI=1S/C18H21N3O4S/c1-10-4-5-12(6-11(10)2)23-9-16-19-21(18(26)20(16)3)13-7-14(22)17-24-8-15(13)25-17/h4-6,13,15,17H,7-9H2,1-3H3/t13-,15+,17+/m1/s1
InChIKey XWSJMECLGXIJTR-KMFMINBZSA-N
Mol Weight 375.44 g/mol
Molecular Formula C18H21N3O4S
Exact Mass 375.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FMJgIj1WRXz
Name (1R,2R,5S)-2-(3-((3,4-dimethylphenoxy)methyl)-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 375.125277338 u
Formula C18H21N3O4S
InChI InChI=1S/C18H21N3O4S/c1-10-4-5-12(6-11(10)2)23-9-16-19-21(18(26)20(16)3)13-7-14(22)17-24-8-15(13)25-17/h4-6,13,15,17H,7-9H2,1-3H3/t13-,15+,17+/m1/s1
InChIKey XWSJMECLGXIJTR-KMFMINBZSA-N
Molecular Weight 375.443 g/mol
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_241
Solvent CDCl3
Source Vendor ID: NMR/8295497; Lab Info: S-P,Polukeev; Lab Number: LP-L-8
Temperature 23.85 °C