| SpectraBase Spectrum ID |
5KyTzDjtQbO |
| Name |
Propanoic acid, 2-methyl-, 1,2,3-propanetriyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.172938551 u |
| Formula |
C15H26O6 |
| InChI |
InChI=1S/C15H26O6/c1-9(2)13(16)19-7-12(21-15(18)11(5)6)8-20-14(17)10(3)4/h9-12H,7-8H2,1-6H3 |
| InChIKey |
REAAUFDFYPKMIR-UHFFFAOYSA-N |
| SMILES |
CC(C(OCC(COC(=O)C(C)C)OC(=O)C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979877 |
