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2,5-Bis(trifluoromethyl)phenylacetonitrile

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2,5-Bis(trifluoromethyl)phenylacetonitrile
SpectraBase Compound ID 4QSj9pkIdPx
InChI InChI=1S/C10H5F6N/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,5H,3H2
InChIKey PMNBXHKKVPKJER-UHFFFAOYSA-N
Mol Weight 253.15 g/mol
Molecular Formula C10H5F6N
Exact Mass 253.032618 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KOmnPzJMAPV
Name 2,5-Bis(trifluoromethyl)phenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 465844
CAS Registry Number 302911-99-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5F6N
InChI InChI=1S/C10H5F6N/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,5H,3H2
InChIKey PMNBXHKKVPKJER-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-(2,5-Bis(trifluoromethyl)phenyl)acetonitrile
Wiley ID SIAL_13CNMR_010221