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Sesartemin-(+)

View entire compound with spectra: 1 FTIR

Sesartemin-(+)
SpectraBase Compound ID L9xcTaoDWtO
InChI InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3
InChIKey DHWUVPPRBIJJKS-UHFFFAOYSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H26O8
Exact Mass 430.162768 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2FMIvI3qbdL
Name Sesartemin-(+)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.162767789 u
Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3
InChIKey DHWUVPPRBIJJKS-UHFFFAOYSA-N
Molecular Weight 430.453 g/mol
SMILES C1OC2=C(O1)C(=CC(=C2)C1OCC2C1COC2C1=CC(=C(C(=C1)OC)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817937