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(2R)-6-Hydroxyhexan-2-yl Benzoate

View entire compound with spectra: 1 MS (GC)

(2R)-6-Hydroxyhexan-2-yl Benzoate
SpectraBase Compound ID 7Hgzz4ITiP5
InChI InChI=1S/C13H18O3/c1-11(7-5-6-10-14)16-13(15)12-8-3-2-4-9-12/h2-4,8-9,11,14H,5-7,10H2,1H3/t11-/m1/s1
InChIKey WPGMWYAAXSLUAB-LLVKDONJSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IRLuYEVVg8
Name (2R)-6-Hydroxyhexan-2-yl Benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-11(7-5-6-10-14)16-13(15)12-8-3-2-4-9-12/h2-4,8-9,11,14H,5-7,10H2,1H3/t11-/m1/s1
InChIKey WPGMWYAAXSLUAB-LLVKDONJSA-N
Molecular Weight 222.284 g/mol
SMILES OCCCC[C@](OC(=O)c1ccccc1)(C)[H]
SPLASH splash10-006x-9080000000-f1856acde2a6489f2669
Source of Spectrum KC-61-2612-14
Synonyms (1R)-5-hydroxy-1-methylpentyl benzoate benzoic acid [(2R)-6-hydroxyhexan-2-yl] ester [(2R)-6-hydroxyhexan-2-yl] benzoate [(1R)-5-hydroxy-1-methyl-pentyl] benzoate [(2R)-6-oxidanylhexan-2-yl] benzoate
Wiley ID 1628158