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2-(Phenylthio)-3-(trifluoroacetyl)bicyclo[2.2.1]heptene
SpectraBase Compound ID CWf05h0hOh3
InChI InChI=1S/C15H13F3OS/c16-15(17,18)14(19)12-9-6-7-10(8-9)13(12)20-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKey HIJRQMNMDREPGM-UHFFFAOYSA-N
Mol Weight 298.32 g/mol
Molecular Formula C15H13F3OS
Exact Mass 298.063921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jLgGpYScAp
Name 2-(Phenylthio)-3-(trifluoroacetyl)bicyclo[2.2.1]heptene
Alternate Name(s) 2,2,2-trifluoro-1-[3-(phenylsulfanyl)bicyclo[2.2.1]hept-2-en-2-yl]ethanone
CAS Registry Number 96245-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F3OS
InChI InChI=1S/C15H13F3OS/c16-15(17,18)14(19)12-9-6-7-10(8-9)13(12)20-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKey HIJRQMNMDREPGM-UHFFFAOYSA-N
Molecular Weight 298.323 g/mol
SMILES C1(=C(C2CC1CC2)Sc1ccccc1)C(C(F)(F)F)=O
SPLASH splash10-0fk9-0790000000-08988c19814afe4d853e
Source of Spectrum J-50-2572-12
Wiley ID 1300709