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(R)-3-hexyl benzoate
SpectraBase Compound ID FuJa6sqdYiX
InChI InChI=1S/C13H18O2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKey ZUUPNDANIDMUPX-GFCCVEGCSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzzuCKoR2kQ
Name (R)-3-hexyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKey ZUUPNDANIDMUPX-GFCCVEGCSA-N
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 206.285 g/mol
SMILES c1cc(ccc1)C(=O)O[C@](CC)(CCC)[H]
SPLASH splash10-0a4i-2900000000-101fcd48d6ff0f517fd3
Source of Spectrum A1-14-3716/SMS28-15t
Synonyms (R)-hexan-3-yl benzoate Benzoic acid [(3R)-hexan-3-yl] ester [(1R)-1-ethylbutyl] benzoate [(3R)-hexan-3-yl] benzoate
Wiley ID 1750362