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Mandelic acid, .alpha.-cyclopentyl-, 1-methyl-4-piperidyl ester

View entire compound with spectra: 1 NMR

Mandelic acid, .alpha.-cyclopentyl-, 1-methyl-4-piperidyl ester
SpectraBase Compound ID CTRTywMLLyM
InChI InChI=1S/C19H27NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,22H,5-6,9-14H2,1H3
InChIKey DZFJGXMHIMAYMW-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mQlYNsOd9M
Name Mandelic acid, .alpha.-cyclopentyl-, 1-methyl-4-piperidyl ester
Comments Computed using HOSE algorithm
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Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,22H,5-6,9-14H2,1H3
InChIKey DZFJGXMHIMAYMW-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES C(C(=O)OC1CCN(CC1)C)(C1CCCC1)(O)C1=CC=CC=C1