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3-Phenyl-2-undecanone

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

3-Phenyl-2-undecanone
SpectraBase Compound ID 8m0HSNJ9K75
InChI InChI=1S/C17H26O/c1-3-4-5-6-7-11-14-17(15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3
InChIKey LEYJILBKNYLFRW-UHFFFAOYSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Nwjp3X7W87
Name 3-Phenyl-2-undecanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.198365456 u
Formula C17H26O
InChI InChI=1S/C17H26O/c1-3-4-5-6-7-11-14-17(15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3
InChIKey LEYJILBKNYLFRW-UHFFFAOYSA-N
Molecular Weight 246.394 g/mol
SMILES CC(C(CCCCCCCC)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876029