| SpectraBase Compound ID | JhcEHSJyAHw |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-6-8(2)9(11)12-7-10(3,4)5/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | CBFZVDUBQXGOSX-SOFGYWHQSA-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 | 4upBWH25gD2 |
|---|---|
| Name | Neopentyl (E)-2-methylbut-2-enoate |
| 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/c1-6-8(2)9(11)12-7-10(3,4)5/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | CBFZVDUBQXGOSX-SOFGYWHQSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | CC(C)(C)COC(=O)\C(=C\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956747 |