| SpectraBase Compound ID | 5Jd9UCgIWt2 |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-3-4-5-6-7-8-12-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey | IBTAFYOTPNVGLR-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ch4K4rL1W3 |
|---|---|
| Name | Carbonic acid, heptyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-3-4-5-6-7-8-12-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey | IBTAFYOTPNVGLR-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | COC(OCCCCCCC)=O |