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1-(2'-Nitrophenyl)-4,4,4-trifluorobut-2-yn-1-ol
SpectraBase Compound ID 8IPH7eoGiDg
InChI InChI=1S/C10H6F3NO3/c11-10(12,13)6-5-9(15)7-3-1-2-4-8(7)14(16)17/h1-4,9,15H
InChIKey ZQVFVGCESHORIM-UHFFFAOYSA-N
Mol Weight 245.16 g/mol
Molecular Formula C10H6F3NO3
Exact Mass 245.029978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3ktp7XkWJD
Name 1-(2'-Nitrophenyl)-4,4,4-trifluorobut-2-yn-1-ol
Appearance Dark red oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F3NO3
InChI InChI=1S/C10H6F3NO3/c11-10(12,13)6-5-9(15)7-3-1-2-4-8(7)14(16)17/h1-4,9,15H
InChIKey ZQVFVGCESHORIM-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010 Ultra
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202001071
Molecular Weight 245.157 g/mol
SMILES OC(c1c(cccc1)[N+]([O-])=O)C#CC(F)(F)F
SPLASH splash10-02ai-0900000000-d426c641c759517408e6
Source of Spectrum U1-2020-SM11-3c
Wiley ID 1861012