| SpectraBase Spectrum ID |
BM6fcLqmwsx |
| Name |
Isopropyl 3,7,11-trimethyl-11-methoxy-2-.xi.-dodecenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.266445016 u |
| Formula |
C19H36O3 |
| InChI |
InChI=1S/C19H36O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h14-16H,8-13H2,1-7H3/b17-14+ |
| InChIKey |
QNRNALQXSLJUAE-SAPNQHFASA-N |
| SMILES |
C(\C=C\(CCCC(CCCC(OC)(C)C)C)C)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983621 |
