| SpectraBase Compound ID | 9SBUqF5HjkU |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-10(2,3)9(11)13-7-8-5-4-6-12-8/h8H,4-7H2,1-3H3 |
| InChIKey | KCJKXFCWFACLFX-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2I0bMRhb0eG |
|---|---|
| Name | Pivalic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-10(2,3)9(11)13-7-8-5-4-6-12-8/h8H,4-7H2,1-3H3 |
| InChIKey | KCJKXFCWFACLFX-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C1(OCCC1)COC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947398 |