| SpectraBase Spectrum ID |
CyzoTcIZrCd |
| Name |
Trans-2-(1-methylethenyl)-7-(phenylmethoxy)-3,6,7-trimethyl-4-octenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-16(2)20(14-22)17(3)12-13-18(4)21(5,6)23-15-19-10-8-7-9-11-19/h7-14,17-18,20H,1,15H2,2-6H3/b13-12+ |
| InChIKey |
JFNGNIVMKZWMFD-OUKQBFOZSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
C(\C=C\C(C(OCC1=CC=CC=C1)(C)C)C)(C(C(=C)C)C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935407 |
