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(11S)-11-Benzoyloxyhexadecanol

View entire compound with spectra: 1 MS (GC)

(11S)-11-Benzoyloxyhexadecanol
SpectraBase Compound ID IW44Zt2f8He
InChI InChI=1S/C23H38O3/c1-2-3-11-18-22(26-23(25)21-16-12-10-13-17-21)19-14-8-6-4-5-7-9-15-20-24/h10,12-13,16-17,22,24H,2-9,11,14-15,18-20H2,1H3/t22-/m0/s1
InChIKey VAIFMYBWZYJLER-QFIPXVFZSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80Qx0jHdpZf
Name (11S)-11-Benzoyloxyhexadecanol
Alternate Name(s) benzoic acid[(1S)-1-amyl-11-hydroxy-undecyl]ester benzoic acid[(6S)-16-hydroxyhexadecan-6-yl]ester [(1S)-11-hydroxy-1-pentyl-undecyl]benzoate [(6S)-16-hydroxyhexadecan-6-yl]benzoate [(6S)-16-oxidanylhexadecan-6-yl]benzoate benzoic acid [(6S)-16-hydroxyhexadecan-6-yl] ester [(6S)-16-hydroxyhexadecan-6-yl] benzoate [(1S)-11-hydroxy-1-pentyl-undecyl] benzoate [(6S)-16-oxidanylhexadecan-6-yl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-2-3-11-18-22(26-23(25)21-16-12-10-13-17-21)19-14-8-6-4-5-7-9-15-20-24/h10,12-13,16-17,22,24H,2-9,11,14-15,18-20H2,1H3/t22-/m0/s1
InChIKey VAIFMYBWZYJLER-QFIPXVFZSA-N
Molecular Weight 362.554 g/mol
SMILES OCCCCCCCCCC[C@@](OC(=O)c1ccccc1)(CCCCC)[H]
SPLASH splash10-00di-0900000000-6977fc0fdae5a6bb5eb9
Source of Spectrum E1-44-1689-15
Wiley ID 1553534