SpectraBase Compound ID | 1bqc3ir9Uic |
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InChI | InChI=1S/C9H18O2/c1-4-8(5-2)7-11-9(10)6-3/h8H,4-7H2,1-3H3 |
InChIKey | YJKXXWQTIJDTET-UHFFFAOYSA-N |
Mol Weight | 158.24 g/mol |
Molecular Formula | C9H18O2 |
Exact Mass | 158.13068 g/mol |
SpectraBase Spectrum ID | IueKJ8XnxSK |
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Name | 2-Ethyl-1-butanol, propionate |
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/c1-4-8(5-2)7-11-9(10)6-3/h8H,4-7H2,1-3H3 |
InChIKey | YJKXXWQTIJDTET-UHFFFAOYSA-N |
Molecular Weight | 158.241 g/mol |
SMILES | CCC(=O)OCC(CC)CC |
Spectrum/Structure Validation Score (Raman) | 0.887937 |