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[(1S,3S)-(2,2,3-Trimethylcyclopent-1-yl)]methyl 4-(Trifluoromethyl)benzoate
SpectraBase Compound ID Co368FPF1bt
InChI InChI=1S/C17H21F3O2/c1-11-4-7-14(16(11,2)3)10-22-15(21)12-5-8-13(9-6-12)17(18,19)20/h5-6,8-9,11,14H,4,7,10H2,1-3H3/t11-,14+/m0/s1
InChIKey VCFXQDYIBZCZLH-SMDDNHRTSA-N
Mol Weight 314.35 g/mol
Molecular Formula C17H21F3O2
Exact Mass 314.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10nR1o15yKi
Name [(1S,3S)-(2,2,3-Trimethylcyclopent-1-yl)]methyl 4-(Trifluoromethyl)benzoate
Alternate Name(s) ((1S,3S)-2,2,3-trimethylcyclopentyl)methyl 4-(trifluoromethyl)benzoate
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Formula C17H21F3O2
InChI InChI=1S/C17H21F3O2/c1-11-4-7-14(16(11,2)3)10-22-15(21)12-5-8-13(9-6-12)17(18,19)20/h5-6,8-9,11,14H,4,7,10H2,1-3H3/t11-,14+/m0/s1
InChIKey VCFXQDYIBZCZLH-SMDDNHRTSA-N
Literature Reference DOI 10.1002/hlca.200490179
Molecular Weight 314.348 g/mol
SMILES CC1([C@](CC[C@@]1(COC(c1ccc(cc1)C(F)(F)F)=O)[H])(C)[H])C
SPLASH splash10-05fr-4900000000-a98865285114c39e73ca
Source of Spectrum H-87-1987-13
Wiley ID 1785533