SpectraBase Compound ID | LLXbFJYrolz |
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InChI | InChI=1S/C12H24O2/c1-5-14-12(3,4)8-6-7-10(2)11-9-13-11/h10-11H,5-9H2,1-4H3 |
InChIKey | SWRNNALZESUGGU-UHFFFAOYSA-N |
Mol Weight | 200.32 g/mol |
Molecular Formula | C12H24O2 |
Exact Mass | 200.17763 g/mol |
SpectraBase Spectrum ID | D4thIZ7PTHe |
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Name | 7,8-Epoxy-2-ethoxy-2,6-dimethyloctane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.177630011 u |
Formula | C12H24O2 |
InChI | InChI=1S/C12H24O2/c1-5-14-12(3,4)8-6-7-10(2)11-9-13-11/h10-11H,5-9H2,1-4H3 |
InChIKey | SWRNNALZESUGGU-UHFFFAOYSA-N |
Molecular Weight | 200.322 g/mol |
SMILES | C(C(C)C1CO1)CCC(OCC)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828118 |