Benzenemethanol, 4-[21-[(tetrahydro-2H-pyran-2-yl)oxy]heneicosyl]-, acetate

SpectraBase Compound ID	BqKoIOLpJia
InChI	InChI=1S/C35H60O4/c1-32(36)39-31-34-27-25-33(26-28-34)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21-29-37-35-24-20-22-30-38-35/h25-28,35H,2-24,29-31H2,1H3
InChIKey	NXANJXVDIYUIPB-UHFFFAOYSA-N Google Search
Mol Weight	544.9 g/mol
Molecular Formula	C35H60O4
Exact Mass	544.44916 g/mol

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SpectraBase Spectrum ID	BrGpQexyhaW
Name	Benzenemethanol, 4-[21-[(tetrahydro-2H-pyran-2-yl)oxy]heneicosyl]-, acetate
Alternate Name(s)	4-(21-(2'-oxacyclohexyl)-oxyhenicosyl)benzyl acetate 4-[21-(tetrahydro-2H-pyran-2-yloxy)henicosyl]benzyl acetate
CAS Registry Number	128368-85-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H60O4
InChI	InChI=1S/C35H60O4/c1-32(36)39-31-34-27-25-33(26-28-34)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21-29-37-35-24-20-22-30-38-35/h25-28,35H,2-24,29-31H2,1H3
InChIKey	NXANJXVDIYUIPB-UHFFFAOYSA-N
Molecular Weight	544.861 g/mol
SMILES	C(=O)(OCc1ccc(cc1)CCCCCCCCCCCCCCCCCCCCCOC1OCCCC1)C
SPLASH	splash10-0f79-8001900000-5a48476c7303cf5b342c
Source of Spectrum	F-47-1468-22
Wiley ID	1405113