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Acetic acid, isononyl ester
SpectraBase Compound ID GjrYcRXCtVc
InChI InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
InChIKey LJSJTXAZFHYHMM-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 E29K6JMRsFs
Name Acetic acid, isononyl ester
CAS Registry Number 40379-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
InChIKey LJSJTXAZFHYHMM-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(=O)(OCCCCCCC(C)C)C
SPLASH splash10-052f-9000000000-82f3d6e2cda1ed62765b
Source of Spectrum W5-0-0-0
Synonyms 7-Methyloctyl acetate 7-Methyloctyl ethanoate Acetic acid 7-methyloctyl ester EINECS 254-898-6
Wiley ID 1183125