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Bicyclo(10.4.0)hexadecan-1(12)-en-13-one 15-carboxylic acid

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Bicyclo(10.4.0)hexadecan-1(12)-en-13-one 15-carboxylic acid
SpectraBase Compound ID JB0KCPLUtiI
InChI InChI=1S/C17H26O3/c18-16-12-14(17(19)20)11-13-9-7-5-3-1-2-4-6-8-10-15(13)16/h14H,1-12H2,(H,19,20)
InChIKey FCNOLMMWMNMVMD-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JZ9Dl3oeC3p
Name Bicyclo(10.4.0)hexadecan-1(12)-en-13-one 15-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.188194694 u
Formula C17H26O3
InChI InChI=1S/C17H26O3/c18-16-12-14(17(19)20)11-13-9-7-5-3-1-2-4-6-8-10-15(13)16/h14H,1-12H2,(H,19,20)
InChIKey FCNOLMMWMNMVMD-UHFFFAOYSA-N
Molecular Weight 278.392 g/mol
SMILES C12=C(CC(CC2=O)C(=O)O)CCCCCCCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91567