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ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(spiro[benzo[d][1,3]dioxole-2,1'-cyclohexan]-5-ylamino)pyrimidine-5-carboxylate
SpectraBase Compound ID BqhdjlNZxzM
InChI InChI=1S/C24H27N5O4/c1-4-31-22(30)18-14-25-23(29-16(3)12-15(2)28-29)27-21(18)26-17-8-9-19-20(13-17)33-24(32-19)10-6-5-7-11-24/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,25,26,27)
InChIKey WTFSLMGURCUTNM-UHFFFAOYSA-N
Mol Weight 449.51 g/mol
Molecular Formula C24H27N5O4
Exact Mass 449.206304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HQVfoCoSeJR
Name ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(spiro[benzo[d][1,3]dioxole-2,1'-cyclohexan]-5-ylamino)pyrimidine-5-carboxylate
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/C24H27N5O4/c1-4-31-22(30)18-14-25-23(29-16(3)12-15(2)28-29)27-21(18)26-17-8-9-19-20(13-17)33-24(32-19)10-6-5-7-11-24/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,25,26,27)
InChIKey WTFSLMGURCUTNM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28163
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: D81516; Labnumber: RNM-0805; SBI_ID: SBI-028167
Temperature 318 °C