| SpectraBase Compound ID | 3bSdD4LXtac |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-13-16-20-18(19)17-14-11-12-15-17/h17H,2,5-16H2,1H3 |
| InChIKey | FVQWELFDLRHRDU-UHFFFAOYSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KXR7pTZD6sp |
|---|---|
| Name | Cyclopentanecarboxylic 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 | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-13-16-20-18(19)17-14-11-12-15-17/h17H,2,5-16H2,1H3 |
| InChIKey | FVQWELFDLRHRDU-UHFFFAOYSA-N |
| SMILES | C(CCCC#CCC)CCCCOC(=O)C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948409 |