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1,2,3,4,5,6-Hexahexylcyclohexane
SpectraBase Compound ID FTU3qW0ZgS3
InChI InChI=1S/C42H84/c1-7-13-19-25-31-37-38(32-26-20-14-8-2)40(34-28-22-16-10-4)42(36-30-24-18-12-6)41(35-29-23-17-11-5)39(37)33-27-21-15-9-3/h37-42H,7-36H2,1-6H3/t37-,38-,39+,40+,41-,42-
InChIKey AGLVPPXHXMRRER-QNCCFSCUSA-N
Mol Weight 589.1 g/mol
Molecular Formula C42H84
Exact Mass 588.657303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQh3zbtTgjH
Name 1,2,3,4,5,6-Hexahexylcyclohexane
CAS Registry Number 135191-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H84
InChI InChI=1S/C42H84/c1-7-13-19-25-31-37-38(32-26-20-14-8-2)40(34-28-22-16-10-4)42(36-30-24-18-12-6)41(35-29-23-17-11-5)39(37)33-27-21-15-9-3/h37-42H,7-36H2,1-6H3/t37-,38-,39+,40+,41-,42-
InChIKey AGLVPPXHXMRRER-QNCCFSCUSA-N
Molecular Weight 589.134 g/mol
SMILES [C@]1([C@@]([C@@](CCCCCC)([C@@]([C@]([C@@]1(CCCCCC)[H])(CCCCCC)[H])(CCCCCC)[H])[H])(CCCCCC)[H])(CCCCCC)[H]
SPLASH splash10-0bt9-9520010000-ce7e6f8b5b5297f502a3
Source of Spectrum K-124-2528-19
Wiley ID 1409237