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Dibenz[B,D]cycloheptanol, 2,3,9-trimethoxy-
SpectraBase Compound ID 8og8CXzNLlR
InChI InChI=1S/C18H20O4/c1-20-12-5-6-13-11(8-12)4-7-16(19)15-10-18(22-3)17(21-2)9-14(13)15/h5-6,8-10,16,19H,4,7H2,1-3H3
InChIKey SOUHKMJESBMQTR-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 47uTzmVhfxU
Name Dibenz[B,D]cycloheptanol, 2,3,9-trimethoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-20-12-5-6-13-11(8-12)4-7-16(19)15-10-18(22-3)17(21-2)9-14(13)15/h5-6,8-10,16,19H,4,7H2,1-3H3
InChIKey SOUHKMJESBMQTR-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES C1=2C3=C(C(CCC2C=C(C=C1)OC)O)C=C(C(=C3)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962213