| SpectraBase Compound ID | 1PdKliH6wPW |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-4-5-8(11-6(2)9)12-7(3)10/h4,8H,1,5H2,2-3H3 |
| InChIKey | YXZWFBWVGCBLHO-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 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 | 59QXZ6SAqug |
|---|---|
| Name | 1-Butene,4,4-diacetyloxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-4-5-8(11-6(2)9)12-7(3)10/h4,8H,1,5H2,2-3H3 |
| InChIKey | YXZWFBWVGCBLHO-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C(CC(OC(=O)C)OC(=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935607 |