| SpectraBase Compound ID | CvvtAyDt0sr |
|---|---|
| InChI | InChI=1S/C8H16O/c1-3-4-8(9)7-5-6(7)2/h6-9H,3-5H2,1-2H3 |
| InChIKey | JGMNDKZDGMNXPV-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LQuOEVRkA9O |
|---|---|
| Name | 1-(2-Methylcyclopropyl)-1-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-3-4-8(9)7-5-6(7)2/h6-9H,3-5H2,1-2H3 |
| InChIKey | JGMNDKZDGMNXPV-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C1(CC1C)C(O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861205 |