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11-(1,3-Benzodioxol-5-yl)-1-undecanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

11-(1,3-Benzodioxol-5-yl)-1-undecanol
SpectraBase Compound ID 1hRox7ncecm
InChI InChI=1S/C18H28O3/c19-13-9-7-5-3-1-2-4-6-8-10-16-11-12-17-18(14-16)21-15-20-17/h11-12,14,19H,1-10,13,15H2
InChIKey HKDRIJWKJIDWTB-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D7dbyKLTrjL
Name 11-(1,3-Benzodioxol-5-yl)-1-undecanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.203844759 u
Formula C18H28O3
InChI InChI=1S/C18H28O3/c19-13-9-7-5-3-1-2-4-6-8-10-16-11-12-17-18(14-16)21-15-20-17/h11-12,14,19H,1-10,13,15H2
InChIKey HKDRIJWKJIDWTB-UHFFFAOYSA-N
Molecular Weight 292.419 g/mol
SMILES C12=C(OCO2)C=CC(=C1)CCCCCCCCCCCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896039