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Piperonyl alcohol, N-pentyl ether
SpectraBase Compound ID HOjPdDFodUC
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
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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