| SpectraBase Compound ID | A18TLNnJhuq |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-3-6-10(12)14-8-5-9-15-11(13)7-4-2/h3-9H2,1-2H3 |
| InChIKey | ZNLTVSKPTPBITN-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9FUdztgR3E3 |
|---|---|
| Name | 1,3-Propanediol, dibutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-3-6-10(12)14-8-5-9-15-11(13)7-4-2/h3-9H2,1-2H3 |
| InChIKey | ZNLTVSKPTPBITN-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(C)CC(=O)OCCCOC(=O)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.946022 |