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(NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine

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

(NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
SpectraBase Compound ID BNZDSnLjgma
InChI InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-14(13-6-5-11-3-1-2-4-12(11)7-13)25-20(26-18)31-17-8-15(27-28)19-29-10-16(17)30-19/h1-7,9,16-17,19,28H,8,10H2/b27-15-/t16-,17?,19-/m1/s1
InChIKey CRCGPAKBIIZFSD-LHIUBKDYSA-N
Mol Weight 447.43 g/mol
Molecular Formula C21H16F3N3O3S
Exact Mass 447.086447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vpJ584CGCX
Name N-[(4Z)-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]methanamine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.086447047 u
Formula C21H16F3N3O3S
InChI InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-14(13-6-5-11-3-1-2-4-12(11)7-13)25-20(26-18)31-17-8-15(27-28)19-29-10-16(17)30-19/h1-7,9,16-17,19,28H,8,10H2/b27-15-/t16-,17?,19-/m1/s1
InChIKey CRCGPAKBIIZFSD-LHIUBKDYSA-N
Molecular Weight 447.432 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16528
Solvent DMSO-d6
Source Vendor ID: NMR/11260909; Lab Info: DAL; Lab Number: DAL-105017G