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Methyl 4-((3-[(4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl)methyl]-1H-indol-1-yl)sulfonyl)phenyl ether
SpectraBase Compound ID F70y0iMouY4
InChI InChI=1S/C27H32N2O3S/c1-18-9-10-20-16-24(18)25(28-27(20,2)3)15-19-17-29(26-8-6-5-7-23(19)26)33(30,31)22-13-11-21(32-4)12-14-22/h5-9,11-14,17,20,24-25,28H,10,15-16H2,1-4H3
InChIKey HCIHGZSIBXSMPH-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H32N2O3S
Exact Mass 464.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeNxyfHJyM
Name Methyl 4-((3-[(4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl)methyl]-1H-indol-1-yl)sulfonyl)phenyl ether
Alternate Name(s) 1-(4-Methoxyphenyl)sulfonyl-3-[(2,2,6-trimethyl-3-azabicyclo[3.3.1]non-6-en-4-yl)methyl]indole 3-Azabicyclo[3.3.1]non-6-ene, 4-[[1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl]methyl]-2,2,6-trimethyl-, (1R-endo)-
CAS Registry Number 133744-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O3S
InChI InChI=1S/C27H32N2O3S/c1-18-9-10-20-16-24(18)25(28-27(20,2)3)15-19-17-29(26-8-6-5-7-23(19)26)33(30,31)22-13-11-21(32-4)12-14-22/h5-9,11-14,17,20,24-25,28H,10,15-16H2,1-4H3
InChIKey HCIHGZSIBXSMPH-UHFFFAOYSA-N
Molecular Weight 464.624 g/mol
SMILES N1C(C2CC(C1Cc1c[n](S(c3ccc(cc3)OC)(=O)=O)c3c1cccc3)C(=CC2)C)(C)C
SPLASH splash10-03di-0900000000-64b7205b68005068eea5
Source of Spectrum H-85-3409-16
Wiley ID 1524978