| SpectraBase Compound ID | BfZmmVeyT |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3 |
| InChIKey | LTOLHPXUSLBUHD-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 29dtp7ncY4w |
|---|---|
| Name | Butanoic acid, 2-methyl-, 3-methyl-3-butenyl ester |
| 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/c1-5-9(4)10(11)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3 |
| InChIKey | LTOLHPXUSLBUHD-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C=C(C)CCOC(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980991 |