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3-Octanol acetate
SpectraBase Compound ID GWH9TGE1FJ9
InChI InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSb5rb26fMS
Name 3-Octanol, acetate
CAS Registry Number 4864-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCCCC(CC)OC(=O)C
SPLASH splash10-0a4i-9100000000-be273e17504458003941
Source of Spectrum UT-1990-53-0
Synonyms 1-Ethylhexyl acetate 3-Octanyl acetate 3-Octyl acetate Acetic acid 1-ethylhexyl ester Acetic acid octan-3-yl ester Oct-3-yl ethanoate Octan-3-yl acetate Octan-3-yl ethanoate
Wiley ID 1169149