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7,7-Diphenyl-2-endo-octylnorbornane
SpectraBase Compound ID G1mIGwDIhrb
InChI InChI=1S/C27H36/c1-2-3-4-5-6-9-14-22-21-25-19-20-26(22)27(25,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,22,25-26H,2-6,9,14,19-21H2,1H3/t22-,25+,26-/m0/s1
InChIKey ASHCRCAEFBPLLO-DFCKQENNSA-N
Mol Weight 360.6 g/mol
Molecular Formula C27H36
Exact Mass 360.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AInF86nJFv7
Name 7,7-Diphenyl-2-endo-octylnorbornane
Alternate Name(s) (1S,4R)-2-octyl-7,7-diphenylbicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36
InChI InChI=1S/C27H36/c1-2-3-4-5-6-9-14-22-21-25-19-20-26(22)27(25,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,22,25-26H,2-6,9,14,19-21H2,1H3/t22-,25+,26-/m0/s1
InChIKey ASHCRCAEFBPLLO-DFCKQENNSA-N
Literature Reference DOI 10.1021/ol071161b
Molecular Weight 360.585 g/mol
SMILES C1C[C@@]2(C[C@@]([C@]1(C2(c1ccccc1)c1ccccc1)[H])(CCCCCCCC)[H])[H]
SPLASH splash10-0903-2977000000-a02e7c0a93e948cc8e66
Source of Spectrum A1-9-2943/SMS5-11
Wiley ID 1758340