2,6-Adamantanediol, bis(4-methoxybenzoate)

SpectraBase Compound ID	qwxX4O4kkT
InChI	InChI=1S/C26H28O6/c1-29-21-7-3-15(4-8-21)25(27)31-23-17-11-19-13-18(23)14-20(12-17)24(19)32-26(28)16-5-9-22(30-2)10-6-16/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24-/m0/s1
InChIKey	HVVBRXDANDVGHE-XJMWNJKVSA-N Google Search
Mol Weight	436.5 g/mol
Molecular Formula	C26H28O6
Exact Mass	436.188589 g/mol

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SpectraBase Spectrum ID	43RfrNgFr8z
Name	2,6-Adamantanediol, bis(4-methoxybenzoate)
Alternate Name(s)	4-Methoxybenzoic acid (6-p-anisoyloxy-2-adamantyl) ester 4-Methoxybenzoic acid [6-[(4-methoxyphenyl)-oxomethoxy]-2-adamantyl] ester [6-(4-methoxybenzoyl)oxy-2-adamantyl] 4-methoxybenzoate
CAS Registry Number	105199-97-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H28O6
InChI	InChI=1S/C26H28O6/c1-29-21-7-3-15(4-8-21)25(27)31-23-17-11-19-13-18(23)14-20(12-17)24(19)32-26(28)16-5-9-22(30-2)10-6-16/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24-/m0/s1
InChIKey	HVVBRXDANDVGHE-XJMWNJKVSA-N
Molecular Weight	436.504 g/mol
SMILES	[C@]12(C[C@@]3([C@]([C@](C2)(C[C@@](C3)([C@@]1(OC(=O)c1ccc(cc1)OC)[H])[H])[H])(OC(=O)c1ccc(cc1)OC)[H])[H])[H]
SPLASH	splash10-000i-3900200000-56e31efe55bc28abfc09
Wiley ID	1482802