| SpectraBase Compound ID | 3JLCz5LAfvv |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-5-7-8-10(4,6-2)12-9(3)11/h5-8H2,1-4H3 |
| InChIKey | IPSFZWUZTDNBCL-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 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 | 6OXGpin9LBI |
|---|---|
| Name | Acetic acid, 3-methylhept-3-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-5-7-8-10(4,6-2)12-9(3)11/h5-8H2,1-4H3 |
| InChIKey | IPSFZWUZTDNBCL-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CC(=O)OC(C)(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967982 |