| SpectraBase Compound ID | 7JZqntRvF6J |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3 |
| InChIKey | DZJZBIPEXUAHJX-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8hlyna6GgAu |
|---|---|
| Name | Carbonic acid, neopentyl cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3 |
| InChIKey | DZJZBIPEXUAHJX-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(COC(=O)OC1CCCCC1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929733 |