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Isocopalane
SpectraBase Compound ID IFCzVYXwpe2
InChI InChI=1S/C20H36/c1-14-8-9-17-19(5,15(14)2)13-10-16-18(3,4)11-7-12-20(16,17)6/h14-17H,7-13H2,1-6H3
InChIKey VITLFESFCZRALP-UHFFFAOYSA-N
Mol Weight 276.5 g/mol
Molecular Formula C20H36
Exact Mass 276.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eSoCpUZAUs
Name Isocopalane
Alternate Name(s) 8,13,14-Trimethylpodocarpane Tetradecahydro -1,1,4a,7,8.8a-hexamethyl -phenanthrene
CAS Registry Number 79191-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36
InChI InChI=1S/C20H36/c1-14-8-9-17-19(5,15(14)2)13-10-16-18(3,4)11-7-12-20(16,17)6/h14-17H,7-13H2,1-6H3
InChIKey VITLFESFCZRALP-UHFFFAOYSA-N
Molecular Weight 276.508 g/mol
SMILES C12(C(C3(CCCC(C3CC2)(C)C)C)CCC(C1C)C)C
SPLASH splash10-0006-2920000000-8f49f8165ca0ba53c809
Source of Spectrum J-46-4858-0
Wiley ID 1280694