| SpectraBase Compound ID | KCAWiabds2l |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-6-10(4,5)9(12)8(11)7(2)3/h6,8-9,11-12H,1-2H2,3-5H3 |
| InChIKey | IIBUYZRBBNPWLM-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G55HmFAXLB1 |
|---|---|
| Name | 3,4-Dihydroxy-2,5,5-trimethyl-hepta-1,6-diene |
| 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/c1-6-10(4,5)9(12)8(11)7(2)3/h6,8-9,11-12H,1-2H2,3-5H3 |
| InChIKey | IIBUYZRBBNPWLM-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C=C(C)C(C(O)C(C=C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865796 |