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2-CHLORO-4,4,5,5,6,6,7,7,7-NONAFLUORO-3-ETHYLTHIO-3-HYDROXYHEPTANOICACID, METHYL ESTER
SpectraBase Compound ID LCsuAGhjrn4
InChI InChI=1S/C10H10ClF9O3S/c1-3-24-6(22,4(11)5(21)23-2)7(12,13)8(14,15)9(16,17)10(18,19)20/h4,22H,3H2,1-2H3
InChIKey XJAVYPDINWQCQV-UHFFFAOYSA-N
Mol Weight 416.69 g/mol
Molecular Formula C10H10ClF9O3S
Exact Mass 415.989547 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hy4NVSQkcJH
Name 2-CHLORO-4,4,5,5,6,6,7,7,7-NONAFLUORO-3-ETHYLTHIO-3-HYDROXYHEPTANOICACID, METHYL ESTER
Comments C=1M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H10ClF9O3S
InChI InChI=1S/C10H10ClF9O3S/c1-3-24-6(22,4(11)5(21)23-2)7(12,13)8(14,15)9(16,17)10(18,19)20/h4,22H,3H2,1-2H3
InChIKey XJAVYPDINWQCQV-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference Z.E.SKRYABINA, V.I.SALOUTIN, K.I.PASHKEVICH, D.V.BAZHENOV, YU.K.GRISHIN,YU.A.USTYNYUK (1986) Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2046-2052.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d