SpectraBase Compound ID | 1N9JCdNYJWX |
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InChI | InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3 |
InChIKey | CRCMEDPBLYDLQH-UHFFFAOYSA-N |
Mol Weight | 224.34 g/mol |
Molecular Formula | C14H24O2 |
Exact Mass | 224.17763 g/mol |
SpectraBase Spectrum ID | 1cQ27JYjR9t |
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Name | 6-Nonyl-5,6-dihydro-2H-pyran-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 224.177630011 u |
Formula | C14H24O2 |
InChI | InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3 |
InChIKey | CRCMEDPBLYDLQH-UHFFFAOYSA-N |
Molecular Weight | 224.344 g/mol |
SMILES | C1(C=CCC(O1)CCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929134 |