SpectraBase Spectrum ID |
4cvixT44VHg |
Name |
(E)-5-p-Anisyloxypent-2-en-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.125594437 u |
Formula |
C13H18O3 |
InChI |
InChI=1S/C13H18O3/c1-15-13-7-5-12(6-8-13)11-16-10-4-2-3-9-14/h2-3,5-8,14H,4,9-11H2,1H3/b3-2+ |
InChIKey |
NOHLGEAQGGTUSR-NSCUHMNNSA-N |
Molecular Weight |
222.284 g/mol |
SMILES |
C(\C=C\CO)COCC=1C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972933 |