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15-Ethyl-ent-isocopalane
SpectraBase Compound ID Ksdnn2FmijG
InChI InChI=1S/C22H40/c1-7-9-17-16(2)10-11-19-21(17,5)15-12-18-20(3,4)13-8-14-22(18,19)6/h16-19H,7-15H2,1-6H3/t16-,17-,18+,19+,21+,22+/m1/s1
InChIKey JMSNGBAGZWONRC-VWEWRVINSA-N
Mol Weight 304.6 g/mol
Molecular Formula C22H40
Exact Mass 304.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uXnmYInRMr
Name (1R,2R,4aS,4bS,8aS,10aS)-2,4b,8,8,10a-pentamethyl-1-propyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CAS Registry Number 87953-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40
InChI InChI=1S/C22H40/c1-7-9-17-16(2)10-11-19-21(17,5)15-12-18-20(3,4)13-8-14-22(18,19)6/h16-19H,7-15H2,1-6H3/t16-,17-,18+,19+,21+,22+/m1/s1
InChIKey JMSNGBAGZWONRC-VWEWRVINSA-N
Molecular Weight 304.562 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC[C@]([C@]1(CCC)[H])(C)[H])[H])C
SPLASH splash10-0006-6912000000-c79688861dc22eab6259
Source of Spectrum J-49-328-1
Wiley ID 1307062