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2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate

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2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID K36Lb0UaHJM
InChI InChI=1S/C17H17F5O2/c1-8-4-6-9(7-5-8)17(2,3)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4,9H,5-7H2,1-3H3
InChIKey JCBVATYWTBSVOR-UHFFFAOYSA-N
Mol Weight 348.31 g/mol
Molecular Formula C17H17F5O2
Exact Mass 348.114871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACxsO8zcL8Z
Name 2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 348.114870600 u
Formula C17H17F5O2
InChI InChI=1S/C17H17F5O2/c1-8-4-6-9(7-5-8)17(2,3)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4,9H,5-7H2,1-3H3
InChIKey JCBVATYWTBSVOR-UHFFFAOYSA-N
Molecular Weight 348.313 g/mol
SMILES C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)(C)C1CCC(=CC1)C