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2,13-Methano-2H-2,7,11-benzotriazacyclopentadecine-1,10(3H,11H)-dione , 4,5,6,7,8,9,12,13-octahydro-8-phenyl-
SpectraBase Compound ID ELJdTuPD0bY
InChI InChI=1S/C23H27N3O2/c27-22-14-21(17-8-2-1-3-9-17)24-12-6-7-13-26-16-18(15-25-22)19-10-4-5-11-20(19)23(26)28/h1-5,8-11,18,21,24H,6-7,12-16H2,(H,25,27)
InChIKey XRGRYPQJVHKGHR-UHFFFAOYSA-N
Mol Weight 377.49 g/mol
Molecular Formula C23H27N3O2
Exact Mass 377.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIqvJKtffEX
Name 2,13-Methano-2H-2,7,11-benzotriazacyclopentadecine-1,10(3H,11H)-dione , 4,5,6,7,8,9,12,13-octahydro-8-phenyl-
Alternate Name(s) 7-Phenyl-1,6,10-triazatricyclo[10.7.1.0(13,18)]icosa-13,15,17-triene-9,19-dione Cyclocelabenzene Cyclocelabenzine
CAS Registry Number 70535-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O2
InChI InChI=1S/C23H27N3O2/c27-22-14-21(17-8-2-1-3-9-17)24-12-6-7-13-26-16-18(15-25-22)19-10-4-5-11-20(19)23(26)28/h1-5,8-11,18,21,24H,6-7,12-16H2,(H,25,27)
InChIKey XRGRYPQJVHKGHR-UHFFFAOYSA-N
Molecular Weight 377.488 g/mol
SMILES N1CC2c3c(C(N(CCCCNC(c4ccccc4)CC1=O)C2)=O)cccc3
SPLASH splash10-004j-3911000000-d2caebecb1d5218dd319
Source of Spectrum H-65-750-0
Wiley ID 1358336