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4'-(Isopropyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)

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

4'-(Isopropyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)
SpectraBase Compound ID 5mcW0jrvdAW
InChI InChI=1S/C22H26O5/c1-14(2)27-17-8-9-18(15(3)11-17)19(23)10-7-16-12-20(24-4)22(26-6)21(13-16)25-5/h7-14H,1-6H3/b10-7+
InChIKey VTYWCAZRSZMCHO-JXMROGBWSA-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 GqPvlQSRLL4
Name 4'-(Isopropyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)
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/c1-14(2)27-17-8-9-18(15(3)11-17)19(23)10-7-16-12-20(24-4)22(26-6)21(13-16)25-5/h7-14H,1-6H3/b10-7+
InChIKey VTYWCAZRSZMCHO-JXMROGBWSA-N
Molecular Weight 370.445 g/mol
SMILES C1(=C(C=C(C=C1)OC(C)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O