SpectraBase Compound ID | EC9dEj74s7r |
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InChI | InChI=1S/C10H18O2/c1-8-7-9(2)5-3-4-6-10(9,11)12-8/h8,11H,3-7H2,1-2H3 |
InChIKey | YRGXJTXZSHFLLB-UHFFFAOYSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | F4Yr230cARM |
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Name | 2,3A-Dimethylhexahydrobenzofuran-7A-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.130679818 u |
Formula | C10H18O2 |
InChI | InChI=1S/C10H18O2/c1-8-7-9(2)5-3-4-6-10(9,11)12-8/h8,11H,3-7H2,1-2H3 |
InChIKey | YRGXJTXZSHFLLB-UHFFFAOYSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | C12(O)CCCCC2(C)CC(O1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906368 |