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3,5-Dibutyl-2,3-dihydro-1H-inden-1-one

View entire compound with spectra: 1 FTIR

3,5-Dibutyl-2,3-dihydro-1H-inden-1-one
SpectraBase Compound ID LVnanEmECJ1
InChI InChI=1S/C17H24O/c1-3-5-7-13-9-10-15-16(11-13)14(8-6-4-2)12-17(15)18/h9-11,14H,3-8,12H2,1-2H3
InChIKey FWHFBNFYCKPBPL-UHFFFAOYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6sl1DXJDAZV
Name 3,5-Dibutyl-2,3-dihydro-1H-inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-5-7-13-9-10-15-16(11-13)14(8-6-4-2)12-17(15)18/h9-11,14H,3-8,12H2,1-2H3
InChIKey FWHFBNFYCKPBPL-UHFFFAOYSA-N
Molecular Weight 244.378 g/mol
SMILES C12=CC(=CC=C2C(CC1CCCC)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838274