| SpectraBase Spectrum ID |
C6LpWPjt0T4 |
| Name |
Succinic acid, 3-methylbut-2-en-1-yl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-15(2)7-6-8-17(5)12-14-23-19(21)10-9-18(20)22-13-11-16(3)4/h7,11-12H,6,8-10,13-14H2,1-5H3/b17-12- |
| InChIKey |
FBCUFTYQYAQVRQ-ATVHPVEESA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
C(CC(OCC=C(C)C)=O)C(OC\C=C/(CCC=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991155 |
