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Acetic acid heptyl ester
SpectraBase Compound ID 6PhJdtS4RG1
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NONSNCsREQ
Name Acetic acid, heptyl ester
Alternate Name(s) 1-Heptyl acetate Acetate C-7 Acetic acid n-heptyl ester Heptanyl acetate Heptyl acetate Heptyl ethanoate n-Heptyl acetate n-Heptyl ethanoate AI3-02072 BRN 1752297 EINECS 203-932-8 FEMA NO. 2547 NSC 3833
CAS Registry Number 112-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCCCCOC(C)=O
SPLASH splash10-052f-9000000000-d6169c23e7ee33835e34
Source of Spectrum NP-1-8755-0
Wiley ID 1099768