| SpectraBase Compound ID | H9I6FT9C9ss |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-5-6-11-9(10)12-7-8(2)3/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | NTJLXIYHYHRGAW-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LBfFGH9rvnb |
|---|---|
| Name | but-3-Enyl isobutyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-5-6-11-9(10)12-7-8(2)3/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | NTJLXIYHYHRGAW-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(OCC(C)C)(=O)OCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942674 |