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Acetic acid, (5-oxocyclooctylidene)-, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Acetic acid, (5-oxocyclooctylidene)-, ethyl ester
SpectraBase Compound ID 7TjfSbjCCAp
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-10-5-3-7-11(13)8-4-6-10/h9H,2-8H2,1H3
InChIKey HIKIFHARRCPXCW-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BlIwYT7q2td
Name Acetic acid, (5-oxocyclooctylidene)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-10-5-3-7-11(13)8-4-6-10/h9H,2-8H2,1H3
InChIKey HIKIFHARRCPXCW-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C(C(=O)OCC)=C1CCCC(=O)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93972