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4,4,4-Trifluoro-3-(4-formylphenyl)butanenitrile
SpectraBase Compound ID 2DwRnLyKrRR
InChI InChI=1S/C11H8F3NO/c12-11(13,14)10(5-6-15)9-3-1-8(7-16)2-4-9/h1-4,7,10H,5H2
InChIKey ASDWQGQTQWLTRS-UHFFFAOYSA-N
Mol Weight 227.19 g/mol
Molecular Formula C11H8F3NO
Exact Mass 227.055798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3xrs18JKPN
Name 4,4,4-Trifluoro-3-(4-formylphenyl)butanenitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8F3NO
InChI InChI=1S/C11H8F3NO/c12-11(13,14)10(5-6-15)9-3-1-8(7-16)2-4-9/h1-4,7,10H,5H2
InChIKey ASDWQGQTQWLTRS-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 227.186 g/mol
Reported Formula C11H8F3NO
SMILES c1cc(ccc1C=O)C(C(F)(F)F)CC#N
SPLASH splash10-004i-2490000000-84ce0a8da2d43771904a
Source of Spectrum A1-23-SM37-2g
Wiley ID 1870235