| SpectraBase Compound ID | 6YNRtJARaKw |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3H,1,4-15,18-19H2,2H3 |
| InChIKey | INXNTCVUTYCSMF-UHFFFAOYSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E05N9XSozFJ |
|---|---|
| Name | Nonadeca-4-yn-18-en-1-oic-acid-methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3H,1,4-15,18-19H2,2H3 |
| InChIKey | INXNTCVUTYCSMF-UHFFFAOYSA-N |
| SMILES | C(=O)(OC)CCC#CCCCCCCCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958739 |