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anti-N-Cyclohexyl-8,16,2',5'-tetramethyl[2.2]metacyclo[9,10-c]pyrrole-1-ene
SpectraBase Compound ID EqRK0RpyV9z
InChI InChI=1S/C28H31N/c1-18-22-10-8-14-25(18)27-20(3)29(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-16-22)19(26)2/h8-11,14-17,24H,5-7,12-13H2,1-4H3/b17-16-
InChIKey HEXJPSOTKLBTID-MSUUIHNZSA-N
Mol Weight 381.56 g/mol
Molecular Formula C28H31N
Exact Mass 381.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Irkdfs9OC
Name anti-N-Cyclohexyl-8,16,2',5'-tetramethyl[2.2]metacyclo[9,10-c]pyrrole-1-ene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N
InChI InChI=1S/C28H31N/c1-18-22-10-8-14-25(18)27-20(3)29(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-16-22)19(26)2/h8-11,14-17,24H,5-7,12-13H2,1-4H3/b17-16-
InChIKey HEXJPSOTKLBTID-MSUUIHNZSA-N
Molecular Weight 381.563 g/mol
SMILES c-12c(c(C)[n](c2C)C2CCCCC2)-c2c(c(\C=C/c3c(c1ccc3)C)ccc2)C
SPLASH splash10-014i-0059000000-d6f1f7272ab17356ae71
Source of Spectrum J-62-6063-28
Synonyms 4-cyclohexyl-3,5,18,19-tetramethyl-4-azatetracyclo[12.3.1.1(7,11).0(2,6)]nonadeca-1(18),2,5,7(19),8,10,12,14,16-nonaene
Wiley ID 1360318