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(2S,3R)-3-Benzoyloxy-1,2-hexanediol

View entire compound with spectra: 1 MS (GC)

(2S,3R)-3-Benzoyloxy-1,2-hexanediol
SpectraBase Compound ID DdsNaRmWn4C
InChI InChI=1S/C13H18O4/c1-2-6-12(11(15)9-14)17-13(16)10-7-4-3-5-8-10/h3-5,7-8,11-12,14-15H,2,6,9H2,1H3/t11-,12+/m0/s1
InChIKey SJKJTIBIKDCHLK-NWDGAFQWSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BJ07ELfFT
Name (2S,3R)-3-Benzoyloxy-1,2-hexanediol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-2-6-12(11(15)9-14)17-13(16)10-7-4-3-5-8-10/h3-5,7-8,11-12,14-15H,2,6,9H2,1H3/t11-,12+/m0/s1
InChIKey SJKJTIBIKDCHLK-NWDGAFQWSA-N
Molecular Weight 238.283 g/mol
SMILES O[C@@](CO)([C@](OC(=O)c1ccccc1)(CCC)[H])[H]
SPLASH splash10-004i-9300000000-e27acce468c8147b9892
Source of Spectrum QC-3-577-2
Wiley ID 883091