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3-(3-HYDROXYPROPYL)-4-(PHENYL)-1,1,1-TRIFLUOROBUT-3-EN-2-ONE
SpectraBase Compound ID 15BVmnVx422
InChI InChI=1S/C13H13F3O2/c14-13(15,16)12(18)11(7-4-8-17)9-10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2/b11-9+
InChIKey GYXSMLCDHXULES-PKNBQFBNSA-N
Mol Weight 258.24 g/mol
Molecular Formula C13H13F3O2
Exact Mass 258.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdaG7lZgvlz
Name 3-(3'-Hydroxypropyl)-4-phenyl-1,1,1-trifluorobut-3-en-2-one
Alternate Name(s) (3E)-1,1,1-trifluoro-3-(3-hydroxypropyl)-4-phenyl-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3O2
InChI InChI=1S/C13H13F3O2/c14-13(15,16)12(18)11(7-4-8-17)9-10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2/b11-9+
InChIKey GYXSMLCDHXULES-PKNBQFBNSA-N
Molecular Weight 258.240 g/mol
SMILES OCCC\C(C(C(F)(F)F)=O)=C/c1ccccc1
SPLASH splash10-0pb9-3910000000-c8ac31d5ebf14d037f35
Source of Spectrum AH-130-678-6
Wiley ID 770590