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(5R,8R)-1-(Benzoyloxy)-5,8-dodecanediol

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

(5R,8R)-1-(Benzoyloxy)-5,8-dodecanediol
SpectraBase Compound ID 5hLt2ixJMWm
InChI InChI=1S/C19H30O4/c1-2-3-11-17(20)13-14-18(21)12-7-8-15-23-19(22)16-9-5-4-6-10-16/h4-6,9-10,17-18,20-21H,2-3,7-8,11-15H2,1H3/t17-,18-/m1/s1
InChIKey FHCJWBMOZMEEBF-QZTJIDSGSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6xo5jtabBy
Name (5R,8R)-1-(Benzoyloxy)-5,8-dodecanediol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.214409442 u
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-2-3-11-17(20)13-14-18(21)12-7-8-15-23-19(22)16-9-5-4-6-10-16/h4-6,9-10,17-18,20-21H,2-3,7-8,11-15H2,1H3/t17-,18-/m1/s1
InChIKey FHCJWBMOZMEEBF-QZTJIDSGSA-N
Molecular Weight 322.445 g/mol
SMILES C(=O)(C1=CC=CC=C1)OCCCC[C@](CC[C@](O)(CCCC)[H])(O)[H]