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11-(Phenylmethoxy)undecanal

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

11-(Phenylmethoxy)undecanal
SpectraBase Compound ID ASXkmPT97ed
InChI InChI=1S/C18H28O2/c19-15-11-6-4-2-1-3-5-7-12-16-20-17-18-13-9-8-10-14-18/h8-10,13-15H,1-7,11-12,16-17H2
InChIKey IRQNJBYNARBAHC-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BL3vHClcHab
Name 11-(Phenylmethoxy)undecanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c19-15-11-6-4-2-1-3-5-7-12-16-20-17-18-13-9-8-10-14-18/h8-10,13-15H,1-7,11-12,16-17H2
InChIKey IRQNJBYNARBAHC-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C(COCC1=CC=CC=C1)CCCCCCCCC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942305