| SpectraBase Compound ID | H1aTfeFwgU9 |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-9(2)7-15-10(13)6-11(14)16-8-12(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | UTTXCDMPHJAJER-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kp8WIildP6S |
|---|---|
| Name | Malonic acid, isobutyl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-9(2)7-15-10(13)6-11(14)16-8-12(3,4)5/h9H,6-8H2,1-5H3 |
| InChIKey | UTTXCDMPHJAJER-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CC(C)COC(CC(OCC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868866 |