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(6S)-6,8-bis(phenylmethoxy)octanoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(6S)-6,8-bis(phenylmethoxy)octanoic acid methyl ester
SpectraBase Compound ID Hsi9tJwxgzl
InChI InChI=1S/C23H30O4/c1-25-23(24)15-9-8-14-22(27-19-21-12-6-3-7-13-21)16-17-26-18-20-10-4-2-5-11-20/h2-7,10-13,22H,8-9,14-19H2,1H3/t22-/m0/s1
InChIKey WPMDEQDYAPMEQJ-QFIPXVFZSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hf3iKqtCnpa
Name (6S)-6,8-bis(Phenylmethoxy)octanoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-25-23(24)15-9-8-14-22(27-19-21-12-6-3-7-13-21)16-17-26-18-20-10-4-2-5-11-20/h2-7,10-13,22H,8-9,14-19H2,1H3/t22-/m0/s1
InChIKey WPMDEQDYAPMEQJ-QFIPXVFZSA-N
Molecular Weight 370.489 g/mol
SMILES C(=O)(OC)CCCC[C@](OCC1=CC=CC=C1)(CCOCC=1C=CC=CC1)[H]