| SpectraBase Compound ID | Fyd5rbc90jG |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3 |
| InChIKey | YPUZOJRRZPRXNV-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9EDSH87IbVs |
|---|---|
| Name | 2-Undecynoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3 |
| InChIKey | YPUZOJRRZPRXNV-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(#CCCCCCCCC)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.986517 |