| SpectraBase Compound ID | CmbH5KIC1qw |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-4-7-12-10(11)13-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | RTBICUAOFPKMID-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZF9JfH1Irm |
|---|---|
| Name | Carbonic acid, allyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-4-7-12-10(11)13-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | RTBICUAOFPKMID-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C=CCOC(OCCCC(C)C)=O |