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(E)-1,1,1-Trifluoro-7-methyl-4-(phenyl-N-1-propyn-3-ylamino)-oct-3-en-2-one
SpectraBase Compound ID 9IU05GJK6kp
InChI InChI=1S/C18H20F3NO/c1-4-12-22(15-8-6-5-7-9-15)16(11-10-14(2)3)13-17(23)18(19,20)21/h1,5-9,13-14H,10-12H2,2-3H3/b16-13+
InChIKey YMNOKPIUYLXMJT-DTQAZKPQSA-N
Mol Weight 323.36 g/mol
Molecular Formula C18H20F3NO
Exact Mass 323.149699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SvLGacjoFU
Name (E)-1,1,1-Trifluoro-7-methyl-4-(phenyl-N-1-propyn-3-ylamino)-oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO
InChI InChI=1S/C18H20F3NO/c1-4-12-22(15-8-6-5-7-9-15)16(11-10-14(2)3)13-17(23)18(19,20)21/h1,5-9,13-14H,10-12H2,2-3H3/b16-13+
InChIKey YMNOKPIUYLXMJT-DTQAZKPQSA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 323.359 g/mol
SMILES C(C(\C=C/(CCC(C)C)N(c1ccccc1)CC#C)=O)(F)(F)F
SPLASH splash10-014i-0290000000-cf940c49dc917fd0d472
Source of Spectrum ARK-2010-SM4-6e
Wiley ID 1869989