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Acetic acid nonyl ester

View entire compound with spectra: 7 NMR, 8 FTIR, 1 Raman, and 10 MS (GC)

Acetic acid nonyl ester
SpectraBase Compound ID 7Q4LvJmugAQ
InChI InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey GJQIMXVRFNLMTB-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlsRWjSC6Gw
Name Acetic acid, nonyl ester
Alternate Name(s) 1-Acetoxynonane 1-Nonyl acetate Acetate c-9 Acetic acid n-nonyl ester n-Nonanyl acetate n-Nonyl acetate n-Nonyl ethanoate Nonanol acetate Nonyl acetate Nonyl alcohol, acetate Nonyl ethanoate Pelargonyl acetate AI3-11583 EINECS 205-585-8 FEMA NO. 2788 NSC 82356
CAS Registry Number 143-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey GJQIMXVRFNLMTB-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(CCCCCCCOC(C)=O)C
SPLASH splash10-052f-9000000000-69f6deb47b6391c69321
Source of Spectrum JZ-1992-1618-0
Wiley ID 1183122