SpectraBase Spectrum ID |
AW4Q9BAxQ2J |
Name |
Piperonyl alcohol, N-pentyl ether |
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/c1-2-3-4-7-14-9-11-5-6-12-13(8-11)16-10-15-12/h5-6,8H,2-4,7,9-10H2,1H3 |
InChIKey |
MQZVZEKEWWZYOL-UHFFFAOYSA-N |
Molecular Weight |
222.284 g/mol |
SMILES |
C12=C(C=CC(=C2)COCCCCC)OCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848892 |