| SpectraBase Spectrum ID |
KtsRRyUYBKe |
| Name |
Succinic acid, isobutyl 5-methoxy-3-phenylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.209324061 u |
| Formula |
C20H30O5 |
| InChI |
InChI=1S/C20H30O5/c1-16(2)15-25-20(22)10-9-19(21)24-14-12-18(11-13-23-3)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3 |
| InChIKey |
LFVWRVYFBVPQJU-UHFFFAOYSA-N |
| Molecular Weight |
350.455 g/mol |
| SMILES |
C(CC(OCCC(C1=CC=CC=C1)CCOC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964154 |
