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Acetic acid 3-oxocanyl ester

View entire compound with spectra: 1 MS (GC)

Acetic acid 3-oxocanyl ester
SpectraBase Compound ID EfWPCnLVOYK
InChI InChI=1S/C9H16O3/c1-8(10)12-9-5-3-2-4-6-11-7-9/h9H,2-7H2,1H3
InChIKey OOJNININKVMPIE-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKdrH9qM3Q7
Name Acetic acid 3-oxocanyl ester
Alternate Name(s) Acetic acid oxocan-3-yl ester Oxocan-3-yl acetate Oxocan-3-yl ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-8(10)12-9-5-3-2-4-6-11-7-9/h9H,2-7H2,1H3
InChIKey OOJNININKVMPIE-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(OC1COCCCCC1)(=O)C
SPLASH splash10-052f-9000000000-03d3718c9c91b7ba524c
Source of Spectrum EP-5876-0-0
Wiley ID 1168712