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Di-hydropalmatin-8-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Di-hydropalmatin-8-one
SpectraBase Compound ID IXuIDQnZ20N
InChI InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKey DMFHLLHXYQJPJS-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TecTEx8qhm
Name di-Hydropalmatin-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKey DMFHLLHXYQJPJS-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C=12C(CCN3C(C=4C(CC23)=CC=C(C4OC)OC)=O)=CC(=C(C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939335