| SpectraBase Compound ID | KxwUwR8iITQ |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-6-11(13)14-12(4,5)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3 |
| InChIKey | FCLLRQJSXCXCKZ-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 35SALj2JcqO |
|---|---|
| Name | Brazinyl propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-6-11(13)14-12(4,5)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3 |
| InChIKey | FCLLRQJSXCXCKZ-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(OC(CCC=C(C)C)(C)C)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98516 |