| SpectraBase Spectrum ID |
7d6POy80Jik |
| Name |
Butanoic acid, 2-ethyl-, 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 |
386.266838938 u |
| Formula |
C21H38O6 |
| InChI |
InChI=1S/C21H38O6/c1-7-15(8-2)19(22)25-13-18(27-21(24)17(11-5)12-6)14-26-20(23)16(9-3)10-4/h15-18H,7-14H2,1-6H3 |
| InChIKey |
YJOIZTPGUYUKSI-UHFFFAOYSA-N |
| Molecular Weight |
386.529 g/mol |
| SMILES |
C(OC(C(CC)CC)=O)(COC(C(CC)CC)=O)COC(C(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985248 |
