| SpectraBase Spectrum ID |
CAZPiYXtpMa |
| Name |
Dimethyl 1-geranyl-1,3-acetonedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.178023932 u |
| Formula |
C17H26O5 |
| InChI |
InChI=1S/C17H26O5/c1-12(2)7-6-8-13(3)9-10-14(17(20)22-5)15(18)11-16(19)21-4/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+ |
| InChIKey |
RWWYQXKQXOPTFH-UKTHLTGXSA-N |
| Molecular Weight |
310.390 g/mol |
| SMILES |
C(C(CC(=O)OC)=O)(C(=O)OC)C\C=C\(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871966 |
