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2-Benzyl-2-(3,4-dimethoxybenzyl)indane-1,3-dione

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

2-Benzyl-2-(3,4-dimethoxybenzyl)indane-1,3-dione
SpectraBase Compound ID 3TaUsjRLkoT
InChI InChI=1S/C25H22O4/c1-28-21-13-12-18(14-22(21)29-2)16-25(15-17-8-4-3-5-9-17)23(26)19-10-6-7-11-20(19)24(25)27/h3-14H,15-16H2,1-2H3
InChIKey XXHGUNNPJXMTFJ-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C25H22O4
Exact Mass 386.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AabP31SJIAM
Name 2-Benzyl-2-(3,4-dimethoxybenzyl)indane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.151809184 u
Formula C25H22O4
InChI InChI=1S/C25H22O4/c1-28-21-13-12-18(14-22(21)29-2)16-25(15-17-8-4-3-5-9-17)23(26)19-10-6-7-11-20(19)24(25)27/h3-14H,15-16H2,1-2H3
InChIKey XXHGUNNPJXMTFJ-UHFFFAOYSA-N
Molecular Weight 386.447 g/mol
SMILES C=1C=2C(=O)C(C(=O)C2C=CC1)(CC1=CC=CC=C1)CC1=CC=C(C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928459