| SpectraBase Compound ID | KENsbyefzyh |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | DFDWGIZZMBNYBV-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GyMA8skiAQT |
|---|---|
| Name | 1,2-(iso-Butylethylidene)glycerol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | DFDWGIZZMBNYBV-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C1(OC(CO)CO1)(CC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984327 |