| SpectraBase Compound ID | 9NpFjciNJ8E |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-4-11(3)6-5-10(14-11)9(2)7-13-8-12/h4,8-10H,1,5-7H2,2-3H3 |
| InChIKey | ALGUVRIJZZGYCE-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ApwuVuKzqlI |
|---|---|
| Name | Lilac alcohol formate A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-4-11(3)6-5-10(14-11)9(2)7-13-8-12/h4,8-10H,1,5-7H2,2-3H3 |
| InChIKey | ALGUVRIJZZGYCE-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C1(CCC(O1)(C=C)C)C(COC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852188 |