| SpectraBase Spectrum ID |
FILW3Vq8Zhq |
| Name |
Succinic acid, hept-2-yl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-6-7-8-12-19(5)25-21(23)14-13-20(22)24-16-15-18(4)11-9-10-17(2)3/h10,15,19H,6-9,11-14,16H2,1-5H3/b18-15- |
| InChIKey |
UGZADRPOGUMZED-SDXDJHTJSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OC\C=C/(CCC=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956402 |
