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(+)-(1S,2S)-2-propylcyclopropylmethanol-mosher-ester;major-isomer

View entire compound with spectra: 3 NMR

(+)-(1S,2S)-2-propylcyclopropylmethanol-mosher-ester;major-isomer
SpectraBase Compound ID LqRTOTfj7fl
InChI InChI=1S/C17H21F3O3/c1-3-7-12-10-13(12)11-23-15(21)16(22-2,17(18,19)20)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3/t12-,13-,16?/m1/s1
InChIKey VXJSEQHQMWAAEQ-SXMVJOELSA-N
Mol Weight 330.35 g/mol
Molecular Formula C17H21F3O3
Exact Mass 330.144279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PhqsSte3Vy
Name (+)-(1S,2S)-2-propylcyclopropylmethanol-mosher-ester;major-isomer
Comments Computed using HOSE algorithm
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Exact Mass 330.144279022 u
Formula C17H21F3O3
InChI InChI=1S/C17H21F3O3/c1-3-7-12-10-13(12)11-23-15(21)16(22-2,17(18,19)20)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3/t12-,13-,16?/m1/s1
InChIKey VXJSEQHQMWAAEQ-SXMVJOELSA-N
Molecular Weight 330.347 g/mol
SMILES C(OC(=O)C(OC)(C1=CC=CC=C1)C(F)(F)F)[C@@]1([C@](CCC)(C1)[H])[H]