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n-Octyl acetate

View entire compound with spectra: 4 NMR, 15 FTIR, 1 Raman, and 20 MS (GC)

n-Octyl acetate
SpectraBase Compound ID 9H44xhnS808
InChI InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey YLYBTZIQSIBWLI-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 9EJvLfaS555
Name Acetic acid, octyl ester
Alternate Name(s) 1-Octanol acetate 1-Octyl acetate Octyl alcohol acetate Acetate C-8 acetic acid octyl ester Acetic acid n-octyl ester Caprylyl acetate n-Octanyl acetate n-Octyl acetate Octyl acetate n-Octyl ethanoate Octyl acetate, normal octyl ethanoate AI3-11269 BRN 1754554 EINECS 203-939-6 FEMA NO. 2806 NSC 67348
CAS Registry Number 112-14-1
Comments Less than 3 mono-isotopic peaks
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Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey YLYBTZIQSIBWLI-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCCCCCCOC(C)=O
SPLASH splash10-03di-5900000000-fc90957b61e26c587224
Source of Spectrum O-23-384-32
Wiley ID 1169070