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1H-isoindole-1,3(2H)-dione, 2-[6-[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]-6-oxohexyl]-
SpectraBase Compound ID 1OeXgT7VLWR
InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)15-22-16(21)25(23-15)12(26)8-2-1-5-9-24-13(27)10-6-3-4-7-11(10)14(24)28/h3-4,6-7H,1-2,5,8-9H2,(H2,21,22,23)
InChIKey IUOVRDHAJMRXAP-UHFFFAOYSA-N
Mol Weight 395.34 g/mol
Molecular Formula C17H16F3N5O3
Exact Mass 395.120524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A0ZbVti36l0
Name 1H-isoindole-1,3(2H)-dione, 2-[6-[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]-6-oxohexyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.120523881 u
Formula C17H16F3N5O3
InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)15-22-16(21)25(23-15)12(26)8-2-1-5-9-24-13(27)10-6-3-4-7-11(10)14(24)28/h3-4,6-7H,1-2,5,8-9H2,(H2,21,22,23)
InChIKey IUOVRDHAJMRXAP-UHFFFAOYSA-N
Molecular Weight 395.342 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18258
Solvent DMSO-d6
Source Vendor ID: NMR/11240825; Lab Info: L-02; Lab Number: L-0200023