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3,3,3-Trifluoro-2-trifluoromethyl-propionic acid 3-(2-chloro-4-trifluoromethyl-phenoxy)-4-nitro-phenyl ester
SpectraBase Compound ID LQiRZTp9mQS
InChI InChI=1S/C17H7ClF9NO5/c18-9-5-7(15(19,20)21)1-4-11(9)33-12-6-8(2-3-10(12)28(30)31)32-14(29)13(16(22,23)24)17(25,26)27/h1-6,13H
InChIKey WMLRPDVASNOYTQ-UHFFFAOYSA-N
Mol Weight 511.68 g/mol
Molecular Formula C17H7ClF9NO5
Exact Mass 510.986903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yfTAfdPUbQ
Name propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.986903491 u
Formula C17H7ClF9NO5
InChI InChI=1S/C17H7ClF9NO5/c18-9-5-7(15(19,20)21)1-4-11(9)33-12-6-8(2-3-10(12)28(30)31)32-14(29)13(16(22,23)24)17(25,26)27/h1-6,13H
InChIKey WMLRPDVASNOYTQ-UHFFFAOYSA-N
Molecular Weight 511.684 g/mol
NMR Offset 17.9887
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16614
Solvent CDCl3
Source Vendor ID: NMR/10320534; Lab Info: DYA; Lab Number: DYA-0101048