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N-(1-adamantyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SpectraBase Compound ID KLtpsVcAE01
InChI InChI=1S/C24H23F3N2O4/c25-24(26,27)17-5-6-21(19(10-17)29(31)32)33-20-4-2-1-3-18(20)22(30)28-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,28,30)/t14-,15+,16-,23-
InChIKey CCOKXSHPXUMLOQ-FSUVMKLBSA-N
Mol Weight 460.45 g/mol
Molecular Formula C24H23F3N2O4
Exact Mass 460.160992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVm7fd6phwA
Name benzamide, 2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.160991714 u
Formula C24H23F3N2O4
InChI InChI=1S/C24H23F3N2O4/c25-24(26,27)17-5-6-21(19(10-17)29(31)32)33-20-4-2-1-3-18(20)22(30)28-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,28,30)/t14-,15+,16-,23-
InChIKey CCOKXSHPXUMLOQ-FSUVMKLBSA-N
Molecular Weight 460.453 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7196
Solvent DMSO-d6
Source Vendor ID: NMR/10222388; Lab Info: LP; Lab Number: LP-2100206