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5,6-dicyclopropylpentacyclo[8.8.2.0(3,16).0(4,7).0(8,13)]icosa-1,3(16),8,10,12,17-hexaene
SpectraBase Compound ID sJKbK6XzaY
InChI InChI=1S/C26H28/c1-2-16-4-6-18-8-7-17-5-3-15(1)13-21(17)25-23(19-9-10-19)24(20-11-12-20)26(25)22(18)14-16/h3-6,13-14,19-20,23-26H,1-2,7-12H2/t23?,24?,25-,26+
InChIKey MJSIYSUJYAGFIM-TXFWVUOCSA-N
Mol Weight 340.51 g/mol
Molecular Formula C26H28
Exact Mass 340.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KXgU3kB6e6
Name 5,6-dicyclopropylpentacyclo[8.8.2.0(3,16).0(4,7).0(8,13)]icosa-1,3(16),8,10,12,17-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28
InChI InChI=1S/C26H28/c1-2-16-4-6-18-8-7-17-5-3-15(1)13-21(17)25-23(19-9-10-19)24(20-11-12-20)26(25)22(18)14-16/h3-6,13-14,19-20,23-26H,1-2,7-12H2/t23?,24?,25-,26+
InChIKey MJSIYSUJYAGFIM-TXFWVUOCSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.78
Molecular Weight 340.510 g/mol
SMILES C1Cc2ccc3CCc4c(cc1cc4)[C@]1(C(C([C@]1(c3c2)[H])C1CC1)C1CC1)[H]
SPLASH splash10-016r-0900000000-35859f8728884cb8c9db
Sample Comments Trans-isomer
Source of Spectrum BJO-7-666-24
Wiley ID 1870040