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1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5,7-dimethyl-2-[5-(4-morpholinylsulfonyl)-1H-indol-3-yl]-
SpectraBase Compound ID EgFP0lyC4jd
InChI InChI=1S/C22H28N4O4S/c1-21-11-24-13-22(2,20(21)27)14-25(12-21)19(24)17-10-23-18-4-3-15(9-16(17)18)31(28,29)26-5-7-30-8-6-26/h3-4,9-10,19,23H,5-8,11-14H2,1-2H3/t19-,21-,22+
InChIKey LVFNXMLYMGPVRB-MMVMTREESA-N
Mol Weight 444.55 g/mol
Molecular Formula C22H28N4O4S
Exact Mass 444.183127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1l7HCyWtaD
Name 1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5,7-dimethyl-2-[5-(4-morpholinylsulfonyl)-1H-indol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N4O4S
InChI InChI=1S/C22H28N4O4S/c1-21-11-24-13-22(2,20(21)27)14-25(12-21)19(24)17-10-23-18-4-3-15(9-16(17)18)31(28,29)26-5-7-30-8-6-26/h3-4,9-10,19,23H,5-8,11-14H2,1-2H3/t19-,21-,22+
InChIKey LVFNXMLYMGPVRB-MMVMTREESA-N
Molecular Weight 444.550 g/mol
SMILES [nH]1c2ccc(cc2c(c1)C1N2C[C@]3(CN1C[C@@](C3=O)(C)C2)C)S(N1CCOCC1)(=O)=O
SPLASH splash10-000f-4920200000-6cc40ea30fdbd5928de2
Source of Spectrum IY-1-4611-9
Wiley ID 1654102