SpectraBase Compound ID | 78aQC8J7jyA |
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InChI | InChI=1S/C13H24O2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h10-12H,4-9H2,1-3H3 |
InChIKey | WMJHJRNGIRTRGK-UHFFFAOYSA-N |
Mol Weight | 212.33 g/mol |
Molecular Formula | C13H24O2 |
Exact Mass | 212.17763 g/mol |
SpectraBase Spectrum ID | DglKhPOUI9L |
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Name | 1,3-Dioxolane, 2-(4-tert-butylcyclohexyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 212.177630011 u |
Formula | C13H24O2 |
InChI | InChI=1S/C13H24O2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h10-12H,4-9H2,1-3H3 |
InChIKey | WMJHJRNGIRTRGK-UHFFFAOYSA-N |
Molecular Weight | 212.333 g/mol |
SMILES | C1C(CCC(C1)C(C)(C)C)C1OCCO1 |
Spectrum/Structure Validation Score (Raman) | 0.985218 |