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1-Phenyldodec-1-en-3-one

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Phenyldodec-1-en-3-one
SpectraBase Compound ID Lh6CF2dpVWk
InChI InChI=1S/C18H26O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h8-10,12-13,15-16H,2-7,11,14H2,1H3/b16-15+
InChIKey SJZSORNQHUZDIP-FOCLMDBBSA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7P9VeydFXD0
Name 1-Phenyldodec-1-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.198365456 u
Formula C18H26O
InChI InChI=1S/C18H26O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h8-10,12-13,15-16H,2-7,11,14H2,1H3/b16-15+
InChIKey SJZSORNQHUZDIP-FOCLMDBBSA-N
Molecular Weight 258.405 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(CCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929627