| SpectraBase Compound ID | 4h2Rk90EBve |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,16H,5-9,11-14H2,1-4H3 |
| InChIKey | JZTNHMKNNVAGPD-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9wRvPDQTR6U |
|---|---|
| Name | 3,7-Dimethyloct-6-en-1-yl heptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,16H,5-9,11-14H2,1-4H3 |
| InChIKey | JZTNHMKNNVAGPD-UHFFFAOYSA-N |
| SMILES | C(CCCCCC)(=O)OCCC(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977668 |