SpectraBase Compound ID | 7WJlRBcAMYk |
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InChI | InChI=1S/C18H32O3/c19-16-15-18(17(20)21-16)13-11-9-7-5-3-1-2-4-6-8-10-12-14-18/h17,20H,1-15H2 |
InChIKey | NUCTWAYZYHBTGS-UHFFFAOYSA-N |
Mol Weight | 296.5 g/mol |
Molecular Formula | C18H32O3 |
Exact Mass | 296.235145 g/mol |
SpectraBase Spectrum ID | 3vvRYIeZSPs |
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Name | 1-Hydroxy-2-oxaspiro[4.14]nonadecan-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.235144887 u |
Formula | C18H32O3 |
InChI | InChI=1S/C18H32O3/c19-16-15-18(17(20)21-16)13-11-9-7-5-3-1-2-4-6-8-10-12-14-18/h17,20H,1-15H2 |
InChIKey | NUCTWAYZYHBTGS-UHFFFAOYSA-N |
SMILES | C1(OC(C2(C1)CCCCCCCCCCCCCC2)O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893449 |