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ALPHA-TRIFLUOROMETHYL-ALPHA-ETHOXY-PARA-METHYLBENZYLISOCYANATE
SpectraBase Compound ID JpZlcq8oHNm
InChI InChI=1S/C12H12F3NO2/c1-3-18-11(16-8-17,12(13,14)15)10-6-4-9(2)5-7-10/h4-7H,3H2,1-2H3
InChIKey PXJPFCCRZAAPAK-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCIpkSfqBMx
Name ALPHA-TRIFLUOROMETHYL-ALPHA-ETHOXY-PARA-METHYLBENZYLISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-3-18-11(16-8-17,12(13,14)15)10-6-4-9(2)5-7-10/h4-7H,3H2,1-2H3
InChIKey PXJPFCCRZAAPAK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1988) Zhurn.Org.Khim.(Russ. Lang.): v.24,N4, 727-732.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d