SpectraBase Compound ID | 1Vg0n2BLmUV |
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InChI | InChI=1S/C15H30O2/c1-4-6-8-9-10-11-13-15(12-7-5-2)17-14(3)16/h15H,4-13H2,1-3H3 |
InChIKey | KGKQALFASDZUKG-UHFFFAOYSA-N |
Mol Weight | 242.4 g/mol |
Molecular Formula | C15H30O2 |
Exact Mass | 242.22458 g/mol |
SpectraBase Spectrum ID | 2Tws8vQ8YYP |
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Name | 5-Acetoxytridecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 242.224580204 u |
Formula | C15H30O2 |
InChI | InChI=1S/C15H30O2/c1-4-6-8-9-10-11-13-15(12-7-5-2)17-14(3)16/h15H,4-13H2,1-3H3 |
InChIKey | KGKQALFASDZUKG-UHFFFAOYSA-N |
Molecular Weight | 242.403 g/mol |
SMILES | C(C(CCCCCCCC)OC(C)=O)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923502 |