| SpectraBase Spectrum ID |
LTBDfYQ28Fh |
| Name |
Adipic acid, isobutyl 5-methoxy-3-methylpentyl 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/c1-14(2)13-22-17(19)8-6-5-7-16(18)21-12-10-15(3)9-11-20-4/h14-15H,5-13H2,1-4H3 |
| InChIKey |
MZUARFQQKPMCDS-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(CC(=O)OCCC(C)CCOC)CCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949814 |
