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11-Phenyl-9-undecenoic acid

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11-Phenyl-9-undecenoic acid
SpectraBase Compound ID DXYkIXreJiQ
InChI InChI=1S/C17H24O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h5,7-10,13-14H,1-4,6,11-12,15H2,(H,18,19)/b8-5+
InChIKey YQSDUOKHIJAWJQ-VMPITWQZSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxRstOlkwWV
Name 11-Phenyl-9-undecenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h5,7-10,13-14H,1-4,6,11-12,15H2,(H,18,19)/b8-5+
InChIKey YQSDUOKHIJAWJQ-VMPITWQZSA-N
Molecular Weight 260.377 g/mol
SMILES C1=C(C=CC=C1)C\C=C\CCCCCCCC(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916179