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

*Links on SpectraBase are not permalinks.
ethanone, 1-[5-(1,3-benzodioxol-5-yl)-4-(1,1-dimethylethyl)-4,5-dihydro-1-phenyl-1H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID 8rKTAxzDndy
InChI InChI=1S/C21H23N3O3/c1-14(25)19-22-24(16-8-6-5-7-9-16)20(23(19)21(2,3)4)15-10-11-17-18(12-15)27-13-26-17/h5-12,20H,13H2,1-4H3
InChIKey FCQGWLQZXJZBMS-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 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 5RKHobL8dCE
Name ethanone, 1-[5-(1,3-benzodioxol-5-yl)-4-(1,1-dimethylethyl)-4,5-dihydro-1-phenyl-1H-1,2,4-triazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.173941610 u
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c1-14(25)19-22-24(16-8-6-5-7-9-16)20(23(19)21(2,3)4)15-10-11-17-18(12-15)27-13-26-17/h5-12,20H,13H2,1-4H3
InChIKey FCQGWLQZXJZBMS-UHFFFAOYSA-N
Molecular Weight 365.433 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8947
Solvent DMSO-d6
Source Vendor ID: NMR/9223700; Lab Info: LP; Lab Number: LP-3900056