SpectraBase Compound ID | HsxK7PwCAUV |
---|---|
InChI | InChI=1S/C16H30O3/c1-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19-2/h3-14H2,1-2H3 |
InChIKey | MJWVNSIWHYTJTM-UHFFFAOYSA-N |
Mol Weight | 270.41 g/mol |
Molecular Formula | C16H30O3 |
Exact Mass | 270.219495 g/mol |
SpectraBase Spectrum ID | JltrMlyqGNL |
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Name | Methyl 7-oxopentadecanoate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 270.219494823 u |
Formula | C16H30O3 |
InChI | InChI=1S/C16H30O3/c1-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19-2/h3-14H2,1-2H3 |
InChIKey | MJWVNSIWHYTJTM-UHFFFAOYSA-N |
Molecular Weight | 270.413 g/mol |
SMILES | COC(=O)CCCCCC(CCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943182 |