[2.2.2](1,3)-Adamantanophane

SpectraBase Compound ID	5HAZk8JdAcu
InChI	InChI=1S/C36H54/c1-2-32-12-27-8-28(13-32)17-34(16-27,23-32)5-6-36-20-29-9-30(21-36)19-35(18-29,24-36)4-3-33-14-25-7-26(15-33)11-31(1,10-25)22-33/h25-30H,1-24H2/t25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+
InChIKey	INIRUUSWZGYKPC-AVRVSSMGSA-N Google Search
Mol Weight	486.8 g/mol
Molecular Formula	C36H54
Exact Mass	486.422552 g/mol

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SpectraBase Spectrum ID	9Gbsvdywhgh
Name	[2.2.2](1,3)-Adamantanophane
Alternate Name(s)	decacyclo[20.5.1.1(1,24).1(4,8).1(4,10).1(6,10).1(13,17).1(13,19).1(15,19).1(22,26)]hexatriacontane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H54
InChI	InChI=1S/C36H54/c1-2-32-12-27-8-28(13-32)17-34(16-27,23-32)5-6-36-20-29-9-30(21-36)19-35(18-29,24-36)4-3-33-14-25-7-26(15-33)11-31(1,10-25)22-33/h25-30H,1-24H2/t25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+
InChIKey	INIRUUSWZGYKPC-AVRVSSMGSA-N
Molecular Weight	486.828 g/mol
SMILES	C123CC4(CCC56CC7(CCC89CC%10(CC3)CC(C8)CC(C%10)C9)CC(C6)CC(C5)C7)CC(C2)CC(C1)C4
SPLASH	splash10-000i-0111900000-406b4ae4644f956cdd6d
Source of Spectrum	K-127-1156-16
Wiley ID	1396650