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2-ISOCYANATO-2-(TRIFLUOROMETHYL)BENZO-1,3-DIOXOLANE
SpectraBase Compound ID EbHTL0YE9Ev
InChI InChI=1S/C9H4F3NO3/c10-8(11,12)9(13-5-14)15-6-3-1-2-4-7(6)16-9/h1-4H
InChIKey LIOWGEHTAZGWAH-UHFFFAOYSA-N
Mol Weight 231.13 g/mol
Molecular Formula C9H4F3NO3
Exact Mass 231.014327 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ymYMJT7YZQ
Name 2-TRIFLUOROMETHYL-2-ISOCYANATO-4,5-BENZO-1,3-DIOXOLANE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H4F3NO3
InChI InChI=1S/C9H4F3NO3/c10-8(11,12)9(13-5-14)15-6-3-1-2-4-7(6)16-9/h1-4H
InChIKey LIOWGEHTAZGWAH-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.BOIKO, L.I.SAMARAI, E.A.ROMANENKO (1992) Ukrain.Khim.Zhurn.(Russ. Lang.):v.58, N8, 675-681.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d