| SpectraBase Spectrum ID |
JquNtPX92Zw |
| Name |
Glutaric 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 |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-6-7-8-13-20(5)26-22(24)15-10-14-21(23)25-17-16-19(4)12-9-11-18(2)3/h11,16,20H,6-10,12-15,17H2,1-5H3/b19-16- |
| InChIKey |
YXCQIAIVUSVWLO-MNDPQUGUSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OC\C=C\(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89522 |
