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Cyclopropaneacetonitrile, .alpha.-hydroxy-2-(trifluoromethyl)-
SpectraBase Compound ID FiderNOra6E
InChI InChI=1S/C6H6F3NO/c7-6(8,9)4-1-3(4)5(11)2-10/h3-5,11H,1H2/t3-,4-,5?/m1/s1
InChIKey YSHUTHCGSGEVKB-ZZKAVYKESA-N
Mol Weight 165.12 g/mol
Molecular Formula C6H6F3NO
Exact Mass 165.040148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsMGZ1rFUb3
Name Cyclopropaneacetonitrile, .alpha.-hydroxy-2-(trifluoromethyl)-
CAS Registry Number 78376-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6F3NO
InChI InChI=1S/C6H6F3NO/c7-6(8,9)4-1-3(4)5(11)2-10/h3-5,11H,1H2/t3-,4-,5?/m1/s1
InChIKey YSHUTHCGSGEVKB-ZZKAVYKESA-N
Molecular Weight 165.115 g/mol
SMILES OC(C#N)[C@]1([C@@](C1)(C(F)(F)F)[H])[H]
SPLASH splash10-014i-9100000000-e7ad39d01f68c7ee9a49
Source of Spectrum 0-16-53-2
Synonyms (2R)-hydroxy[(1R,2R)-2-(trifluoromethyl)cyclopropyl]ethanenitrile trans-1-cyanohydroxymethyl-2-trifluoromethylcyclopropane
Wiley ID 1161182