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4-(1,3-Dimethyl-1-indenyl)-4-oxobutanal

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

4-(1,3-Dimethyl-1-indenyl)-4-oxobutanal
SpectraBase Compound ID Fp7zFttqMHS
InChI InChI=1S/C15H16O2/c1-11-10-15(2,14(17)8-5-9-16)13-7-4-3-6-12(11)13/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKey MWSYJEUXHQGXEL-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUEsplnUj5S
Name 4-(1,3-Dimethyl-1-indenyl)-4-oxobutanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-11-10-15(2,14(17)8-5-9-16)13-7-4-3-6-12(11)13/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKey MWSYJEUXHQGXEL-UHFFFAOYSA-N
Molecular Weight 228.291 g/mol
SMILES C1(C=C(C)C2=C1C=CC=C2)(C(=O)CCC=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972734