1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol

SpectraBase Compound ID	nuGXE8GhG0
InChI	InChI=1S/C30H41NO4/c1-17-11-22-21(29(3,4)15-18(2)30(22,5)6)13-20(17)24(32)14-23-26-19(9-10-31(23)7)12-25-27(28(26)33-8)35-16-34-25/h11-13,18,23-24,32H,9-10,14-16H2,1-8H3
InChIKey	KIIPWXWTCHRTLY-UHFFFAOYSA-N Google Search
Mol Weight	479.7 g/mol
Molecular Formula	C30H41NO4
Exact Mass	479.303559 g/mol

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SpectraBase Spectrum ID	6OFi2jPu88R
Name	1-(1,1,2,4,4,7-Hexamethyltetralin-6-yl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-G]isoquinolin-5-yl)ethanol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	479.303558800 u
Formula	C30H41NO4
InChI	InChI=1S/C30H41NO4/c1-17-11-22-21(29(3,4)15-18(2)30(22,5)6)13-20(17)24(32)14-23-26-19(9-10-31(23)7)12-25-27(28(26)33-8)35-16-34-25/h11-13,18,23-24,32H,9-10,14-16H2,1-8H3
InChIKey	KIIPWXWTCHRTLY-UHFFFAOYSA-N
Molecular Weight	479.661 g/mol
SMILES	C1=2C(CC(C3=CC=4C(CC(C(C4C=C3C)(C)C)C)(C)C)O)N(C)CCC2C=C2OCOC2=C1OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.855959