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1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5-methyl-2-[1-(phenylmethyl)-1H-indol-3-yl]-7-propyl-
SpectraBase Compound ID 5kM5RdbpwTh
InChI InChI=1S/C27H31N3O/c1-3-13-27-18-29-16-26(2,25(27)31)17-30(19-27)24(29)22-15-28(14-20-9-5-4-6-10-20)23-12-8-7-11-21(22)23/h4-12,15,24H,3,13-14,16-19H2,1-2H3/t24-,26-,27+
InChIKey WSUXWWCNWWZCRN-PQEXVNNFSA-N
Mol Weight 413.57 g/mol
Molecular Formula C27H31N3O
Exact Mass 413.246713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuzqmuIz1PH
Name 1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5-methyl-2-[1-(phenylmethyl)-1H-indol-3-yl]-7-propyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O
InChI InChI=1S/C27H31N3O/c1-3-13-27-18-29-16-26(2,25(27)31)17-30(19-27)24(29)22-15-28(14-20-9-5-4-6-10-20)23-12-8-7-11-21(22)23/h4-12,15,24H,3,13-14,16-19H2,1-2H3/t24-,26-,27+
InChIKey WSUXWWCNWWZCRN-PQEXVNNFSA-N
Molecular Weight 413.565 g/mol
SMILES c1([C@]2(N3C[C@]4(CN2C[C@@](C4=O)(CCC)C3)C)[H])c[n](Cc2ccccc2)c2c1cccc2
SPLASH splash10-0006-9340000000-bb27990f7e767fd2827e
Source of Spectrum IY-1-4627-1
Wiley ID 1654254