![3-n-Butyl[1]staffane-1-carboxylic acid](/api/spectrum/44iARzHnFHZ/structure.png?h=300&w=458 "3-n-Butyl[1]staffane-1-carboxylic acid")
| SpectraBase Compound ID | KnYNET8Mqly |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-2-3-4-9-5-10(6-9,7-9)8(11)12/h2-7H2,1H3,(H,11,12) |
| InChIKey | QLQFEPICHLNDCI-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 44iARzHnFHZ |
|---|---|
| Name | 3-N-Butyl[1]staffane-1-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-2-3-4-9-5-10(6-9,7-9)8(11)12/h2-7H2,1H3,(H,11,12) |
| InChIKey | QLQFEPICHLNDCI-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C12(C(=O)O)CC(C2)(CCCC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881737 |