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1,1,1,3,3,3-Hexafluoropropan-2-yl 4-nitrobenzoate
SpectraBase Compound ID JQpqaNXmAhc
InChI InChI=1S/C10H5F6NO4/c11-9(12,13)8(10(14,15)16)21-7(18)5-1-3-6(4-2-5)17(19)20/h1-4,8H
InChIKey TVDPNCLYRNJPDQ-UHFFFAOYSA-N
Mol Weight 317.14 g/mol
Molecular Formula C10H5F6NO4
Exact Mass 317.012277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fjbv7SOAZZO
Name 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-nitrobenzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5F6NO4
InChI InChI=1S/C10H5F6NO4/c11-9(12,13)8(10(14,15)16)21-7(18)5-1-3-6(4-2-5)17(19)20/h1-4,8H
InChIKey TVDPNCLYRNJPDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400785d
Molecular Weight 317.143 g/mol
SMILES c1cc(C(OC(C(F)(F)F)C(F)(F)F)=O)ccc1[N+](=O)[O-]
SPLASH splash10-0v4i-5933000000-83c605123c864f2bd885
Source of Spectrum A1-15-2222/SMS13-3c
Synonyms 4-Nitrobenzoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 4-nitrobenzoate 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 4-nitrobenzoate
Wiley ID 1748555