SpectraBase Compound ID | KE6DoRkmIvD |
---|---|
InChI | InChI=1S/C10H18O2/c1-9-5-3-8(4-6-9)10(2,7-11)12-9/h8,11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1 |
InChIKey | HTGSXANWVMWFEM-AEJSXWLSSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | YWWwcmy5yD |
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Name | 9-Hydroxy-1,8-cineole |
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/c1-9-5-3-8(4-6-9)10(2,7-11)12-9/h8,11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1 |
InChIKey | HTGSXANWVMWFEM-AEJSXWLSSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | [C@@]1(O[C@@]2(CC[C@]1(CC2)[H])C)(CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968542 |