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Amorfrutin C, dimethyl ether

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

Amorfrutin C, dimethyl ether
SpectraBase Compound ID IFr9GB9sMWj
InChI InChI=1S/C28H36O4/c1-19(2)13-16-23-22(18-15-21-11-9-8-10-12-21)25(28(29)32-7)27(31-6)24(26(23)30-5)17-14-20(3)4/h8-14H,15-18H2,1-7H3
InChIKey XNKZNWFINQJRPD-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FLKZawUysV0
Name Amorfrutin C, dimethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.261359635 u
Formula C28H36O4
InChI InChI=1S/C28H36O4/c1-19(2)13-16-23-22(18-15-21-11-9-8-10-12-21)25(28(29)32-7)27(31-6)24(26(23)30-5)17-14-20(3)4/h8-14H,15-18H2,1-7H3
InChIKey XNKZNWFINQJRPD-UHFFFAOYSA-N
Molecular Weight 436.592 g/mol
SMILES COC1=C(C(OC)=C(CC=C(C)C)C(CCC2=CC=CC=C2)=C1C(OC)=O)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89907