| SpectraBase Spectrum ID |
50j3lOFRhu5 |
| Name |
Succinic acid, hexyl 1-tert-butoxyprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.224974125 u |
| Formula |
C17H32O5 |
| InChI |
InChI=1S/C17H32O5/c1-6-8-9-10-13-20-14(18)11-12-15(19)21-16(7-2)22-17(3,4)5/h16H,6-13H2,1-5H3 |
| InChIKey |
NBDJEPWZBSVRQB-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(OC(OC(C)(C)C)CC)(=O)CCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824817 |
