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Dibenzo[A,E]cyclooctene, 5,6,11,12-tetrahydro-2,3,8,9,11-pentamethoxy-
SpectraBase Compound ID JLuAew1Jdjo
InChI InChI=1S/C21H26O5/c1-22-17-10-15-11-20(25-4)18(23-2)8-13(15)6-7-14-9-19(24-3)21(26-5)12-16(14)17/h8-9,11-12,17H,6-7,10H2,1-5H3
InChIKey GUVRHBBDDNZEHW-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 GvCFHpwUq1J
Name Dibenzo[A,E]cyclooctene, 5,6,11,12-tetrahydro-2,3,8,9,11-pentamethoxy-
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/c1-22-17-10-15-11-20(25-4)18(23-2)8-13(15)6-7-14-9-19(24-3)21(26-5)12-16(14)17/h8-9,11-12,17H,6-7,10H2,1-5H3
InChIKey GUVRHBBDDNZEHW-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES C1C2=C(C=C(OC)C(=C2)OC)CCC2=C(C1OC)C=C(C(=C2)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878514