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(.eta.-Cyclopentadienyl)[6,6a,10a,11a-.eta.-(5-phenylsulfonyl-[5a-2H]-5a,7,8,9,10,11a-exo-hexahydrobenzo[b]carbazole)]cobalt

View entire compound with spectra: 1 MS (GC)

(.eta.-Cyclopentadienyl)[6,6a,10a,11a-.eta.-(5-phenylsulfonyl-[5a-2H]-5a,7,8,9,10,11a-exo-hexahydrobenzo[b]carbazole)]cobalt
SpectraBase Compound ID 5AsTQXXferM
InChI InChI=1S/C22H21NO2S.C5H5.Co/c24-26(25,18-10-2-1-3-11-18)23-21-13-7-6-12-19(21)20-14-16-8-4-5-9-17(16)15-22(20)23;1-2-4-5-3-1;/h1-3,6-7,10-15,20,22H,4-5,8-9H2;1-5H;/t20-,22-;;/m0../s1/i22D;;
InChIKey KLDBPXMJMQMHIQ-MFXLEYSASA-N
Mol Weight 488.51 g/mol
Molecular Formula C27H252DCoNO2S
Exact Mass 488.107896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ixiHyoNZUU
Name (.eta.-Cyclopentadienyl)[6,6a,10a,11a-.eta.-(5-phenylsulfonyl-[5a-2H]-5a,7,8,9,10,11a-exo-hexahydrobenzo[b]carbazole)]cobalt
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25DCoNO2S
InChI InChI=1S/C22H21NO2S.C5H5.Co/c24-26(25,18-10-2-1-3-11-18)23-21-13-7-6-12-19(21)20-14-16-8-4-5-9-17(16)15-22(20)23;1-2-4-5-3-1;/h1-3,6-7,10-15,20,22H,4-5,8-9H2;1-5H;/t20-,22-;;/m0../s1/i22D;;
InChIKey KLDBPXMJMQMHIQ-MFXLEYSASA-N
Molecular Weight 488.509 g/mol
SMILES [C@]123[Co]456789([C@@]1(CCCC3)[C@@]8([C@]1(c3c(cccc3)N([C@]1([C@]24[H])[2D])S(=O)(=O)c1ccccc1)[H])[H])[C@]1([C@@]9([C@@]5([C@@]7([C@@]61[H])[H])[H])[H])[H]
SPLASH splash10-00c1-2093200000-703a73421870ba266249
Source of Spectrum SO-0-1381-32
Wiley ID 1545310