| SpectraBase Spectrum ID |
JAigcb5q4bW |
| Name |
Coniferyl aldehyde, N-butyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-3-4-10-17-13-8-7-12(6-5-9-15)11-14(13)16-2/h5-9,11H,3-4,10H2,1-2H3/b6-5+ |
| InChIKey |
OIYKOTPBQDKUJB-AATRIKPKSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OCCCC)OC)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981221 |
