4H-Phenanthro[9,10-b]pyran, methanone deriv.

SpectraBase Compound ID	9tl9z7muORu
InChI	InChI=1S/C30H20O2/c31-28(21-13-5-2-6-14-21)30-26(20-11-3-1-4-12-20)19-27-24-17-8-7-15-22(24)23-16-9-10-18-25(23)29(27)32-30/h1-18H,19H2
InChIKey	XCGOGUDXUWHDEU-UHFFFAOYSA-N Google Search
Mol Weight	412.49 g/mol
Molecular Formula	C30H20O2
Exact Mass	412.14633 g/mol

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SpectraBase Spectrum ID	8egMESfI5xe
Name	4H-Phenanthro[9,10-B]pyran, methanone deriv.
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.146329882 u
Formula	C30H20O2
InChI	InChI=1S/C30H20O2/c31-28(21-13-5-2-6-14-21)30-26(20-11-3-1-4-12-20)19-27-24-17-8-7-15-22(24)23-16-9-10-18-25(23)29(27)32-30/h1-18H,19H2
InChIKey	XCGOGUDXUWHDEU-UHFFFAOYSA-N
Molecular Weight	412.488 g/mol
SMILES	C=1(OC2=C3C(C=CC=C3)=C3C(=C2CC1C1=CC=CC=C1)C=CC=C3)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.940104