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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 K53Lciwjkaw
Name 3-Octanol acetate
CAS Registry Number 4864-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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 CCC(OC(C)=O)CCCCC
SPLASH splash10-0006-9100000000-adf416a54a194d73c5ec
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Octanol acetate<3->
Wiley ID 1887734