| SpectraBase Compound ID | 7wsCU71YHlR |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-8(2)7-9(3)5-6-10(11)12-4/h7,9H,5-6H2,1-4H3 |
| InChIKey | HFMWTIFUTRQNIZ-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 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 | 6WIbY0iBjy6 |
|---|---|
| Name | (4rs)-4,6-Dimethylhept-5-enoic_acid_methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-8(2)7-9(3)5-6-10(11)12-4/h7,9H,5-6H2,1-4H3 |
| InChIKey | HFMWTIFUTRQNIZ-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(=O)(CCC(C=C(C)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983064 |