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anti-N-Cyclohexyl-8,16,2',5'-tetramethyl-1-(methylsulfonyl)[2.2]metacyclo[9,10-c]pyrrole
SpectraBase Compound ID 5oRP8AmMA3l
InChI InChI=1S/C29H35NS/c1-18-22-11-9-15-25(18)28-20(3)30(23-12-7-6-8-13-23)21(4)29(28)26-16-10-14-24(19(26)2)27(17-22)31-5/h9-11,14-16,23,27H,6-8,12-13,17H2,1-5H3/t27-/m0/s1
InChIKey BRNOKPUMKFOTPF-MHZLTWQESA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H35NS
Exact Mass 429.249021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPRSBQ0JiAm
Name anti-N-Cyclohexyl-8,16,2',5'-tetramethyl-1-(methylsulfonyl)[2.2]metacyclo[9,10-c]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35NS
InChI InChI=1S/C29H35NS/c1-18-22-11-9-15-25(18)28-20(3)30(23-12-7-6-8-13-23)21(4)29(28)26-16-10-14-24(19(26)2)27(17-22)31-5/h9-11,14-16,23,27H,6-8,12-13,17H2,1-5H3/t27-/m0/s1
InChIKey BRNOKPUMKFOTPF-MHZLTWQESA-N
Molecular Weight 429.666 g/mol
SMILES c-12c(c(C)[n](c2C)C2CCCCC2)-c2c(c(C[C@@](c3c(c1ccc3)C)(SC)[H])ccc2)C
SPLASH splash10-0159-0029200000-2fa93caf4f8ac0993488
Source of Spectrum J-62-6063-27
Wiley ID 1381273