| SpectraBase Compound ID | BxVtc6NrcWB |
|---|---|
| InChI | InChI=1S/C11H18O/c1-4-5-6-10-7-11(12,8-10)9(2)3/h7,12H,2,4-6,8H2,1,3H3 |
| InChIKey | QUHFPLCBGRHCQH-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dqswg9fIKbB |
|---|---|
| Name | 1-Isopropenyl-3-N-butyl-cyclobuten-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-4-5-6-10-7-11(12,8-10)9(2)3/h7,12H,2,4-6,8H2,1,3H3 |
| InChIKey | QUHFPLCBGRHCQH-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(O)(C(C)=C)C=C(CCCC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897587 |