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2'-(2-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 1)
SpectraBase Compound ID 91Vr5oA5lNV
InChI InChI=1S/C24H30O6/c1-7-16(2)15-30-21-14-18(26-3)9-10-19(21)20(25)11-8-17-12-22(27-4)24(29-6)23(13-17)28-5/h8-14,16H,7,15H2,1-6H3/b11-8+
InChIKey XGFZPEVNYXERNW-DHZHZOJOSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23qND7EPxv6
Name 2'-(2-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 1)
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 414.204238680 u
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-7-16(2)15-30-21-14-18(26-3)9-10-19(21)20(25)11-8-17-12-22(27-4)24(29-6)23(13-17)28-5/h8-14,16H,7,15H2,1-6H3/b11-8+
InChIKey XGFZPEVNYXERNW-DHZHZOJOSA-N
Molecular Weight 414.498 g/mol
SMILES C1(=C(C=C(C=C1)OC)OCC(CC)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976288