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2-[3-(4-Methoxyphenyl)prop-2-en-1-ylidene]furo[3,2-C]chromene-3,4-dione
SpectraBase Compound ID DA0X97EkC2o
InChI InChI=1S/C21H14O5/c1-24-14-11-9-13(10-12-14)5-4-8-17-19(22)18-20(25-17)15-6-2-3-7-16(15)26-21(18)23/h2-12H,1H3/b5-4+,17-8-
InChIKey DJGIDJRJSWADMM-ZPCHUTRJSA-N
Mol Weight 346.34 g/mol
Molecular Formula C21H14O5
Exact Mass 346.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JxigiVF6t5Q
Name 2-[3-(4-Methoxyphenyl)prop-2-en-1-ylidene]furo[3,2-C]chromene-3,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.084123546 u
Formula C21H14O5
InChI InChI=1S/C21H14O5/c1-24-14-11-9-13(10-12-14)5-4-8-17-19(22)18-20(25-17)15-6-2-3-7-16(15)26-21(18)23/h2-12H,1H3/b5-4+,17-8-
InChIKey DJGIDJRJSWADMM-ZPCHUTRJSA-N
Molecular Weight 346.338 g/mol
SMILES C12=C(C=CC=C2)C2=C(C(O1)=O)C(=O)\C(O2)=C\C=C\C1=CC=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916833