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3-CHLORO-17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHRENE
SpectraBase Compound ID JFq0qTbKkYC
InChI InChI=1S/C27H48.ClH/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5;/h19-25H,6-18H2,1-5H3;1H
InChIKey PDCSOTWDYUPGFI-UHFFFAOYSA-N
Mol Weight 409.1 g/mol
Molecular Formula C27H49Cl
Exact Mass 408.352279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Inm1y54lDmP
Name 3-CHLORO-17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHRENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H47Cl
InChI InChI=1S/C27H48.ClH/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5;/h19-25H,6-18H2,1-5H3;1H
InChIKey PDCSOTWDYUPGFI-UHFFFAOYSA-N
Molecular Weight 408.3511
SMILES Cl.CC12CCCCC1CCC1C2CCC2(C)C(CCC12)C(C)CCCC(C)C
SPLASH splash10-0zfr-9650100000-d9992e9b3b64df6902dd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany