| SpectraBase Compound ID | J1uDfBNdKit |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-7H2,1-2H3 |
| InChIKey | UMRLNZREIFILSG-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LRed9q5w6dD |
|---|---|
| Name | 1,3-Propanediol, dipropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-7H2,1-2H3 |
| InChIKey | UMRLNZREIFILSG-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(=O)(CC)OCCCOC(=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.962656 |