2H-Furo[2,3,4-ij]isoquinoline, phenol deriv.

SpectraBase Compound ID	GRqc5wNcc69
InChI	InChI=1S/C26H27NO4/c1-27-12-11-17-9-10-20(29-2)26-22(17)23(27)25(31-26)19-14-18(24(28)21(15-19)30-3)13-16-7-5-4-6-8-16/h4-10,14-15,23,25,28H,11-13H2,1-3H3/t23-,25+/m0/s1
InChIKey	PMJMLGFUOYMXEZ-UKILVPOCSA-N Google Search
Mol Weight	417.51 g/mol
Molecular Formula	C26H27NO4
Exact Mass	417.194008 g/mol

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SpectraBase Spectrum ID	LtmAqLqt9dE
Name	2H-Furo[2,3,4-ij]isoquinoline, phenol deriv.
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	417.194008349 u
Formula	C26H27NO4
InChI	InChI=1S/C26H27NO4/c1-27-12-11-17-9-10-20(29-2)26-22(17)23(27)25(31-26)19-14-18(24(28)21(15-19)30-3)13-16-7-5-4-6-8-16/h4-10,14-15,23,25,28H,11-13H2,1-3H3/t23-,25+/m0/s1
InChIKey	PMJMLGFUOYMXEZ-UKILVPOCSA-N
Molecular Weight	417.505 g/mol
SMILES	C=12[C@]3([C@@](C4=CC(CC=5C=CC=CC5)=C(C(=C4)OC)O)(OC2=C(OC)C=CC1CCN3C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.825752