| SpectraBase Compound ID | 1yfyhJIQ9cd |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3 |
| InChIKey | SIZYAYFVBQLSJP-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5ZLpnqjy3l8 |
|---|---|
| Name | Formic acid, 2-ethylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3 |
| InChIKey | SIZYAYFVBQLSJP-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(OC=O)C(CCCC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.977693 |