| SpectraBase Compound ID | F6TfBU52aBT |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-6-7-9(2)14-10(12)13-8-11(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | IPTUBJGOJROINE-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9mq68REkEXh |
|---|---|
| Name | Carbonic acid, neopentyl 2-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-6-7-9(2)14-10(12)13-8-11(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | IPTUBJGOJROINE-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | CC(C)(COC(=O)OC(C)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955038 |