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4-{[1'-(4"-Methoxyphenyl)sulfonyl]-1H-Indol-3'-ylmethyl}-2,2,6-trimethyl-3-azabicyclo[3.3.1]non-6-en-8-one
SpectraBase Compound ID QlopaDKYp9
InChI InChI=1S/C27H30N2O4S/c1-17-13-26(30)23-15-22(17)24(28-27(23,2)3)14-18-16-29(25-8-6-5-7-21(18)25)34(31,32)20-11-9-19(33-4)10-12-20/h5-13,16,22-24,28H,14-15H2,1-4H3
InChIKey DOBHEIBVDCVMOB-UHFFFAOYSA-N
Mol Weight 478.61 g/mol
Molecular Formula C27H30N2O4S
Exact Mass 478.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZuEg1yN0AP
Name 4-{[1'-(4"-Methoxyphenyl)sulfonyl]-1H-Indol-3'-ylmethyl}-2,2,6-trimethyl-3-azabicyclo[3.3.1]non-6-en-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O4S
InChI InChI=1S/C27H30N2O4S/c1-17-13-26(30)23-15-22(17)24(28-27(23,2)3)14-18-16-29(25-8-6-5-7-21(18)25)34(31,32)20-11-9-19(33-4)10-12-20/h5-13,16,22-24,28H,14-15H2,1-4H3
InChIKey DOBHEIBVDCVMOB-UHFFFAOYSA-N
Molecular Weight 478.607 g/mol
SMILES N1C(C2C(C=C(C(C1Cc1c[n](S(c3ccc(cc3)OC)(=O)=O)c3c1cccc3)C2)C)=O)(C)C
SPLASH splash10-057l-0900100000-1153b6db52a2b3a832fc
Source of Spectrum H-85-3409-17
Synonyms 1-[(4'-methoxyphenyl)sulfonyl]-serratenone 2-({1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}methyl)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one 4-{[1'-(4''-Methoxyphenyl)sulfonyl]-1H-Indol-3'''-ylmethyl}-2,2,6-trimethyl-3-azabicyclo[3.3.1]non-6-en-8-one
Wiley ID 1524977