SpectraBase Compound ID | GAmHbt0ed7 |
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InChI | InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-12(14)15-11-10-13(2)3/h4-11H2,1-3H3 |
InChIKey | RBLJYVBVMVTWKL-UHFFFAOYSA-N |
Mol Weight | 215.34 g/mol |
Molecular Formula | C12H25NO2 |
Exact Mass | 215.188529 g/mol |
SpectraBase Spectrum ID | JwWd3C2f1K7 |
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Name | Octanoic acid, 2-dimethylaminoethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 215.188529047 u |
Formula | C12H25NO2 |
InChI | InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-12(14)15-11-10-13(2)3/h4-11H2,1-3H3 |
InChIKey | RBLJYVBVMVTWKL-UHFFFAOYSA-N |
Molecular Weight | 215.337 g/mol |
SMILES | C(CCCCCCC)(=O)OCCN(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983874 |