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

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7,7-dimethyl-1-(3-pyridinylmethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
SpectraBase Compound ID 1RmxwmFY7nM
InChI InChI=1S/C18H17F6N3O2/c1-15(2)6-11-13(12(28)7-15)16(17(19,20)21,18(22,23)24)26-14(29)27(11)9-10-4-3-5-25-8-10/h3-5,8H,6-7,9H2,1-2H3,(H,26,29)
InChIKey GSNIWPHMLYMKEA-UHFFFAOYSA-N
Mol Weight 421.34 g/mol
Molecular Formula C18H17F6N3O2
Exact Mass 421.122496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5yiM1eRxnJ
Name 7,7-dimethyl-1-(3-pyridinylmethyl)-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/C18H17F6N3O2/c1-15(2)6-11-13(12(28)7-15)16(17(19,20)21,18(22,23)24)26-14(29)27(11)9-10-4-3-5-25-8-10/h3-5,8H,6-7,9H2,1-2H3,(H,26,29)
InChIKey GSNIWPHMLYMKEA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20848
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: D50022; Labnumber: SOK-1936; SBI_ID: SBI-020852
Temperature 315 °C