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Sphenanlignan

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

Sphenanlignan
SpectraBase Compound ID 2r7aRBueNjq
InChI InChI=1S/C21H26O5/c1-13(7-15-5-6-18-19(10-15)26-12-25-18)14(2)8-16-9-17(22)21(24-4)20(11-16)23-3/h5-6,9-11,13-14,22H,7-8,12H2,1-4H3
InChIKey ZGHOATLFXGBJGZ-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7AiVJB6XEHu
Name Sphenanlignan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.178023932 u
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(7-15-5-6-18-19(10-15)26-12-25-18)14(2)8-16-9-17(22)21(24-4)20(11-16)23-3/h5-6,9-11,13-14,22H,7-8,12H2,1-4H3
InChIKey ZGHOATLFXGBJGZ-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES C1(=C(C(=CC(=C1)CC(C(CC1=CC2=C(OCO2)C=C1)C)C)OC)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964246