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(S)-methyl 3-(4-(trifluoromethyl)phenyl)pent-4-enoate
SpectraBase Compound ID hxGsnwRWuS
InChI InChI=1S/C13H13F3O2/c1-3-9(8-12(17)18-2)10-4-6-11(7-5-10)13(14,15)16/h3-7,9H,1,8H2,2H3/t9-/m1/s1
InChIKey PSJLFPRMRAUFMB-SECBINFHSA-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 IPykcBhSuPE
Name (S)-methyl 3-(4-(trifluoromethyl)phenyl)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3O2
InChI InChI=1S/C13H13F3O2/c1-3-9(8-12(17)18-2)10-4-6-11(7-5-10)13(14,15)16/h3-7,9H,1,8H2,2H3/t9-/m1/s1
InChIKey PSJLFPRMRAUFMB-SECBINFHSA-N
Literature Reference DOI 10.1002/adsc.201200113
Molecular Weight 258.240 g/mol
SMILES c1(ccc(cc1)C(F)(F)F)[C@@](CC(OC)=O)(C=C)[H]
SPLASH splash10-00mt-0900000000-a274cecc1c34097f3faa
Source of Spectrum ASC-354-2279-4h
Wiley ID 1763072