| SpectraBase Compound ID | 37h6bRx6OL7 |
|---|---|
| InChI | InChI=1S/C17H26O/c1-3-5-12-17(13-6-4-2)16-10-8-7-9-15(16)11-14-18-17/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey | URSMMGJGMQCXJI-UHFFFAOYSA-N |
| Mol Weight | 246.39 g/mol |
| Molecular Formula | C17H26O |
| Exact Mass | 246.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKjmzuQkJUv |
|---|---|
| Name | 1,1-Dibutylisochroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.198365456 u |
| Formula | C17H26O |
| InChI | InChI=1S/C17H26O/c1-3-5-12-17(13-6-4-2)16-10-8-7-9-15(16)11-14-18-17/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey | URSMMGJGMQCXJI-UHFFFAOYSA-N |
| Molecular Weight | 246.394 g/mol |
| SMILES | C1=CC2=C(C=C1)C(OCC2)(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89692 |