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2,13-Methano-2H-2,6,10-benzotriazacyclopentadecine-1,7-dione, 3,4,5,6,8,9,10,11,12,13-decahydro-13-hydroxy-9-phenyl-
SpectraBase Compound ID IXgQWzR5BsN
InChI InChI=1S/C23H27N3O3/c27-21-15-20(17-7-2-1-3-8-17)24-13-11-23(29)16-26(14-6-12-25-21)22(28)18-9-4-5-10-19(18)23/h1-5,7-10,20,24,29H,6,11-16H2,(H,25,27)
InChIKey CKMFMNKEBARFNU-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C23H27N3O3
Exact Mass 393.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRYafucsrWv
Name 2,13-Methano-2H-2,6,10-benzotriazacyclopentadecine-1,7-dione, 3,4,5,6,8,9,10,11,12,13-decahydro-13-hydroxy-9-phenyl-
Alternate Name(s) 12-hydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.0(13,18)]icosa-13,15,17-triene-6,19-dione Hydroxy-isocyclocelabenzine Hydroxyisocyclocelabenzene
CAS Registry Number 82497-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O3
InChI InChI=1S/C23H27N3O3/c27-21-15-20(17-7-2-1-3-8-17)24-13-11-23(29)16-26(14-6-12-25-21)22(28)18-9-4-5-10-19(18)23/h1-5,7-10,20,24,29H,6,11-16H2,(H,25,27)
InChIKey CKMFMNKEBARFNU-UHFFFAOYSA-N
Molecular Weight 393.487 g/mol
SMILES N1CCC2(c3c(C(N(C2)CCCNC(CC1c1ccccc1)=O)=O)cccc3)O
SPLASH splash10-06ea-1912000000-757e5dbc665f40c9bf7c
Source of Spectrum H-65-750-0
Wiley ID 1366318