For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,1,2,2-tetra-1-adamantylethane
SpectraBase Compound ID 4aqDPrFtdhc
InChI InChI=1S/C42H62/c1-25-2-27-3-26(1)14-39(13-25,15-27)37(40-16-28-4-29(17-40)6-30(5-28)18-40)38(41-19-31-7-32(20-41)9-33(8-31)21-41)42-22-34-10-35(23-42)12-36(11-34)24-42/h25-38H,1-24H2/t25-,26+,27-,28-,29+,30-,31-,32+,33-,34-,35?,36?,38?,39-,40-,41-,42?
InChIKey NSHZLPJZCLQKCL-XMRPSCPNSA-N
Mol Weight 567.0 g/mol
Molecular Formula C42H62
Exact Mass 566.485152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EZdUQszBhxG
Name 1,1,2,2-tetra-1-adamantylethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H62
InChI InChI=1S/C42H62/c1-25-2-27-3-26(1)14-39(13-25,15-27)37(40-16-28-4-29(17-40)6-30(5-28)18-40)38(41-19-31-7-32(20-41)9-33(8-31)21-41)42-22-34-10-35(23-42)12-36(11-34)24-42/h25-38H,1-24H2/t25-,26+,27-,28-,29+,30-,31-,32+,33-,34-,35?,36?,38?,39-,40-,41-,42?
InChIKey NSHZLPJZCLQKCL-XMRPSCPNSA-N
Literature Reference DOI 10.1002/cber.19861190506
Molecular Weight 566.958 g/mol
SMILES C1[C@]2(C[C@@]3(CC(C2)(C[C@]1(C3)[H])C(C(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H])C12CC3CC(CC(C3)C1)C2)[H])[H]
SPLASH splash10-00lj-0790000000-2e52e76c6668300a5e9e
Source of Spectrum K-119-1504-6
Synonyms 1,1'-(1,2-di(adamantan-1-yl)ethane-1,2-diyl)bis(adamantane) 1,1',1''-(2-(adamantan-1-yl)ethane-1,1,2-triyl)tris(adamantane)
Wiley ID 1794487