Dibenz[D,F]cycloheptanone, 2,3,9-trimethoxy-

SpectraBase Compound ID	4X0TdThmMgp
InChI	InChI=1S/C18H18O4/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/h5-6,8-10H,4,7H2,1-3H3
InChIKey	WLVVOZDPZBUGMI-UHFFFAOYSA-N Google Search
Mol Weight	298.34 g/mol
Molecular Formula	C18H18O4
Exact Mass	298.120509 g/mol

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SpectraBase Spectrum ID	A7VtdHEU1lY
Name	Dibenz[D,F]cycloheptanone, 2,3,9-trimethoxy-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	298.120509056 u
Formula	C18H18O4
InChI	InChI=1S/C18H18O4/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/h5-6,8-10H,4,7H2,1-3H3
InChIKey	WLVVOZDPZBUGMI-UHFFFAOYSA-N
SMILES	C12=C(C(CCC3=C2C=CC(=C3)OC)=O)C=C(C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.874821