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4-Amino-2-benzylidene-5,7-dimethoxyindan-1-one

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

4-Amino-2-benzylidene-5,7-dimethoxyindan-1-one
SpectraBase Compound ID 8T2aN8RzVw7
InChI InChI=1S/C18H17NO3/c1-21-14-10-15(22-2)17(19)13-9-12(18(20)16(13)14)8-11-6-4-3-5-7-11/h3-8,10H,9,19H2,1-2H3/b12-8+
InChIKey TXAQWIKEKIRLMF-XYOKQWHBSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8DdMb1J3mkP
Name 4-Amino-2-benzylidene-5,7-dimethoxyindan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-21-14-10-15(22-2)17(19)13-9-12(18(20)16(13)14)8-11-6-4-3-5-7-11/h3-8,10H,9,19H2,1-2H3/b12-8+
InChIKey TXAQWIKEKIRLMF-XYOKQWHBSA-N
SMILES C12=C(C\C(C2=O)=C/C=2C=CC=CC2)C(N)=C(C=C1OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954243