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Cyclopropanecarboxylic acid, dodec-9-ynyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Cyclopropanecarboxylic acid, dodec-9-ynyl ester
SpectraBase Compound ID KJRYR0ohwNo
InChI InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(17)15-12-13-15/h15H,2,5-14H2,1H3
InChIKey DVTZHRYQODIWHZ-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HIAH8HbXCwb
Name Cyclopropanecarboxylic acid, dodec-9-ynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(17)15-12-13-15/h15H,2,5-14H2,1H3
InChIKey DVTZHRYQODIWHZ-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES C(CCCC#CCC)CCCCOC(=O)C1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894247