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2-(1,3-Benzodioxol-5-yl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

View entire compound with spectra: 1 MS (GC)

2-(1,3-Benzodioxol-5-yl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
SpectraBase Compound ID BdNhmSgj8gx
InChI InChI=1S/C21H28N2O3/c1-13(2)20-8-22-10-21(14(3)4,19(20)24)11-23(9-20)18(22)15-5-6-16-17(7-15)26-12-25-16/h5-7,13-14,18H,8-12H2,1-4H3/t18-,20-,21+
InChIKey QAEGDMZMQDRYHD-ZKTXZKFHSA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jeeZvh5Ky
Name 2-(1,3-Benzodioxol-5-yl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3
InChI InChI=1S/C21H28N2O3/c1-13(2)20-8-22-10-21(14(3)4,19(20)24)11-23(9-20)18(22)15-5-6-16-17(7-15)26-12-25-16/h5-7,13-14,18H,8-12H2,1-4H3/t18-,20-,21+
InChIKey QAEGDMZMQDRYHD-ZKTXZKFHSA-N
Molecular Weight 356.466 g/mol
SMILES [C@]12(C([C@]3(C(C)C)CN(C2)C(c2cc4OCOc4cc2)N(C1)C3)=O)C(C)C
SPLASH splash10-08g3-3914000000-35e8680265af1578d508
Synonyms 2-(1,3-Benzodioxol-5-yl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one 2-Benzo[1,3]dioxol-5-yl-5,7-diisopropyl-1,3-diaza-tricyclo[3.3.1.1(3,7)]decan-6-one
Wiley ID 1511401