SpectraBase Spectrum ID |
C043UfzW0Y7 |
Name |
Hydrocinnamaldehyde, p,alpha-diisopropyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.167065327 u |
Formula |
C15H22O |
InChI |
InChI=1S/C15H22O/c1-11(2)14-7-5-13(6-8-14)9-15(10-16)12(3)4/h5-8,10-12,15H,9H2,1-4H3 |
InChIKey |
WNYRTYBATGKIEZ-UHFFFAOYSA-N |
Molecular Weight |
218.340 g/mol |
SMILES |
C1(=CC=C(C=C1)C(C)C)CC(C=O)C(C)C |
Spectrum/Structure Validation Score (Raman) |
0.872224 |