| SpectraBase Compound ID | 8453kNHR0p0 |
|---|---|
| InChI | InChI=1S/C11H19NO/c1-8(2)11(9(3)4)6-5-10(7-12)13-11/h8-10H,5-6H2,1-4H3 |
| InChIKey | NYYMTCDJYRHWCS-UHFFFAOYSA-N |
| Mol Weight | 181.28 g/mol |
| Molecular Formula | C11H19NO |
| Exact Mass | 181.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9WKZU8RvfpW |
|---|---|
| Name | 5-Cyano-2,2-diisopropyltetrahydrofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.146664235 u |
| Formula | C11H19NO |
| InChI | InChI=1S/C11H19NO/c1-8(2)11(9(3)4)6-5-10(7-12)13-11/h8-10H,5-6H2,1-4H3 |
| InChIKey | NYYMTCDJYRHWCS-UHFFFAOYSA-N |
| Molecular Weight | 181.279 g/mol |
| SMILES | C1(OC(C#N)CC1)(C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911604 |