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

*Links on SpectraBase are not permalinks.

1-(2-chlorobenzyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2-chlorobenzyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
SpectraBase Compound ID FBgPqmItjpi
InChI InChI=1S/C19H17ClF6N2O2/c1-16(2)7-12-14(13(29)8-16)17(18(21,22)23,19(24,25)26)27-15(30)28(12)9-10-5-3-4-6-11(10)20/h3-6H,7-9H2,1-2H3,(H,27,30)
InChIKey HFRQMDMZFMZJKJ-UHFFFAOYSA-N
Mol Weight 454.8 g/mol
Molecular Formula C19H17ClF6N2O2
Exact Mass 454.088274 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 4v8aXN6vAG9
Name 1-(2-chlorobenzyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H17ClF6N2O2/c1-16(2)7-12-14(13(29)8-16)17(18(21,22)23,19(24,25)26)27-15(30)28(12)9-10-5-3-4-6-11(10)20/h3-6H,7-9H2,1-2H3,(H,27,30)
InChIKey HFRQMDMZFMZJKJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20845
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D50019; Labnumber: SOK-1933; SBI_ID: SBI-020849
Temperature 315 °C