| SpectraBase Spectrum ID |
2Ov0zQRsBhr |
| Name |
Coniferyl aldehyde, 3-methylbutyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-12(2)8-10-18-14-7-6-13(5-4-9-16)11-15(14)17-3/h4-7,9,11-12H,8,10H2,1-3H3/b5-4+ |
| InChIKey |
GEMFCTDKCPNNEQ-SNAWJCMRSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OCCC(C)C)OC)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97215 |
