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3,4-(Methylenedioxy)-2',3',4',5',6'-pentamethylchalcone
SpectraBase Compound ID 2J7TDGFesB
InChI InChI=1S/C21H22O3/c1-12-13(2)15(4)21(16(5)14(12)3)18(22)8-6-17-7-9-19-20(10-17)24-11-23-19/h6-10H,11H2,1-5H3
InChIKey SDRBEXRJZIKEIB-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JUKhfy6rfOZ
Name 3,4-(Methylenedioxy)-2',3',4',5',6'-pentamethylchalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.156894565 u
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-12-13(2)15(4)21(16(5)14(12)3)18(22)8-6-17-7-9-19-20(10-17)24-11-23-19/h6-10H,11H2,1-5H3
InChIKey SDRBEXRJZIKEIB-UHFFFAOYSA-N
Molecular Weight 322.404 g/mol
SMILES C=1(C(=C(C(=C(C1C)C)C)C)C(C=CC=1C=CC=2OCOC2C1)=O)C
Spectrum/Structure Validation Score (Raman) 0.949646