| SpectraBase Compound ID | RdCVmdWmjh |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3/b16-13- |
| InChIKey | NPSBIIPKEQTFPA-SSZFMOIBSA-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 | LBZqjrh3cxX |
|---|---|
| Name | Nerolidyl propionate |
| 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/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3/b16-13- |
| InChIKey | NPSBIIPKEQTFPA-SSZFMOIBSA-N |
| SMILES | C(CC\C=C/(CCC=C(C)C)C)(C=C)(OC(CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929448 |