Methyl [2.2](1,3)-adamantanometacyclophane-16-carboxylate

SpectraBase Compound ID	JSMpcVFPvqc
InChI	InChI=1S/C22H28O2/c1-24-20(23)19-17-10-21-8-6-15-2-3-16(5-4-15)7-9-22(12-17,14-21)13-18(19)11-21/h2-5,17-19H,6-14H2,1H3/t17-,18+,19?,21-,22+
InChIKey	WQRFOKPPDNIUPW-NBMAOANXSA-N Google Search
Mol Weight	324.46 g/mol
Molecular Formula	C22H28O2
Exact Mass	324.20893 g/mol

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SpectraBase Spectrum ID	DPsbTxYM1dG
Name	Methyl [2.2](1,3)-adamantanometacyclophane-16-carboxylate
Alternate Name(s)	Methyl pentacyclo[11.2.2.1(4,8).1(4,10).1(6,10)]icosa-1(15),13,16-triene-7-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H28O2
InChI	InChI=1S/C22H28O2/c1-24-20(23)19-17-10-21-8-6-15-2-3-16(5-4-15)7-9-22(12-17,14-21)13-18(19)11-21/h2-5,17-19H,6-14H2,1H3/t17-,18+,19?,21-,22+
InChIKey	WQRFOKPPDNIUPW-NBMAOANXSA-N
Molecular Weight	324.464 g/mol
SMILES	[C@]12(C([C@@]3(C[C@]4(C2)C[C@@](C1)(CCc1ccc(CC4)cc1)C3)[H])C(=O)OC)[H]
SPLASH	splash10-01ba-0594000000-db35624ca778d0294f76
Source of Spectrum	K-127-2087-5
Wiley ID	1323702