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(R)-3-heptyl benzoate
SpectraBase Compound ID 94l6wVugmO3
InChI InChI=1S/C14H20O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3/t13-/m1/s1
InChIKey QBMDOZADPSFEBH-CYBMUJFWSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gac4CV9QFvR
Name (R)-3-heptyl benzoate
Alternate Name(s) (R)-heptan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3/t13-/m1/s1
InChIKey QBMDOZADPSFEBH-CYBMUJFWSA-N
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 220.312 g/mol
SMILES c1cc(ccc1)C(O[C@](CC)(CCCC)[H])=O
SPLASH splash10-0a4i-2900000000-290c451788ad76aa54ca
Source of Spectrum A1-14-3716/SMS29-15u
Wiley ID 1750363