(R)-(+)-3-Methoxytetrahydrofluoreno[1,2-b][2.2]paracyclophane-5-one [lelicenophane]

SpectraBase Compound ID	HFeS1quamT5
InChI	InChI=1S/C28H26O2/c1-30-21-12-13-23-24-15-14-22-19-8-6-17-2-4-18(5-3-17)7-9-20(11-10-19)26(22)27(24)28(29)25(23)16-21/h2-5,10-13,16,24,27H,6-9,14-15H2,1H3/t24-,27+/m1/s1
InChIKey	MGRCPNUDORPSRY-SQHAQQRYSA-N Google Search
Mol Weight	394.51 g/mol
Molecular Formula	C28H26O2
Exact Mass	394.19328 g/mol

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SpectraBase Spectrum ID	1C8wDNmLO6W
Name	(R)-(+)-3-methoxytetrahydrofluoreno[1,2-B][2.2]paracyclophane-5-one [lelicenophane]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	394.193280075 u
Formula	C28H26O2
InChI	InChI=1S/C28H26O2/c1-30-21-12-13-23-24-15-14-22-19-8-6-17-2-4-18(5-3-17)7-9-20(11-10-19)26(22)27(24)28(29)25(23)16-21/h2-5,10-13,16,24,27H,6-9,14-15H2,1H3/t24-,27+/m1/s1
InChIKey	MGRCPNUDORPSRY-SQHAQQRYSA-N
Molecular Weight	394.514 g/mol
SMILES	[C@]12(C(C=3C=C(OC)C=CC3[C@]2(CCC=2C1=C1C=CC2CCC2=CC=C(CC1)C=C2)[H])=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.884195