| SpectraBase Compound ID | 4rMlRBrK8Xe |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-5-6-7-8(2,3)9/h9H,4-5H2,1-3H3 |
| InChIKey | AWSIETBOWGIMBS-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 25GkpXu6XL2 |
|---|---|
| Name | 3-Heptyn-2-ol, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-5-6-7-8(2,3)9/h9H,4-5H2,1-3H3 |
| InChIKey | AWSIETBOWGIMBS-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | CC(C#CCCC)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915045 |