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2'-(2-Methylpropyl)oxy-4,4',6'-trimethoxychalcone (ISOMER2)

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-(2-Methylpropyl)oxy-4,4',6'-trimethoxychalcone (ISOMER2)
SpectraBase Compound ID 4Pra5SZzUmE
InChI InChI=1S/C22H26O5/c1-15(2)14-27-21-13-18(25-4)12-20(26-5)22(21)19(23)11-8-16-6-9-17(24-3)10-7-16/h6-13,15H,14H2,1-5H3/b11-8+
InChIKey XGZZDRHKXHUREP-DHZHZOJOSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TgWkR7dDjh
Name 2'-(2-Methylpropyl)oxy-4,4',6'-trimethoxychalcone (ISOMER2)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-15(2)14-27-21-13-18(25-4)12-20(26-5)22(21)19(23)11-8-16-6-9-17(24-3)10-7-16/h6-13,15H,14H2,1-5H3/b11-8+
InChIKey XGZZDRHKXHUREP-DHZHZOJOSA-N
Molecular Weight 370.445 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCC(C)C)C(\C=C\C=1C=CC(OC)=CC1)=O