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3-Nitro-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-benzoic acid

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

3-Nitro-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-benzoic acid
SpectraBase Compound ID EUefzp3ckpB
InChI InChI=1S/C12H7F8NO5/c13-9(14)11(17,18)12(19,20)10(15,16)4-26-7-2-1-5(8(22)23)3-6(7)21(24)25/h1-3,9H,4H2,(H,22,23)
InChIKey PCASNCRGMKWQDA-UHFFFAOYSA-N
Mol Weight 397.18 g/mol
Molecular Formula C12H7F8NO5
Exact Mass 397.019648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ypvKDWuv5g
Name 3-Nitro-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F8NO5
InChI InChI=1S/C12H7F8NO5/c13-9(14)11(17,18)12(19,20)10(15,16)4-26-7-2-1-5(8(22)23)3-6(7)21(24)25/h1-3,9H,4H2,(H,22,23)
InChIKey PCASNCRGMKWQDA-UHFFFAOYSA-N
Molecular Weight 397.177 g/mol
SMILES OC(c1ccc(c(N(=O)=O)c1)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0gb9-9600000000-22fd183fc59f51e4c22f
Wiley ID 1462101