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2,13-Methano-2H-2,6,10-benzotriazacyclopentadecine-1,7-dione, 10-acetyl-3,4,5,6,8,9,10,11,12,13-decahydro-9-phenyl-
SpectraBase Compound ID 4kqVtgdqiyY
InChI InChI=1S/C25H29N3O3/c1-18(29)28-15-12-20-17-27(25(31)22-11-6-5-10-21(20)22)14-7-13-26-24(30)16-23(28)19-8-3-2-4-9-19/h2-6,8-11,20,23H,7,12-17H2,1H3,(H,26,30)
InChIKey GMGZTEOGQJIHEJ-UHFFFAOYSA-N
Mol Weight 419.53 g/mol
Molecular Formula C25H29N3O3
Exact Mass 419.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tLArfR8Ks2
Name 2,13-Methano-2H-2,6,10-benzotriazacyclopentadecine-1,7-dione, 10-acetyl-3,4,5,6,8,9,10,11,12,13-decahydro-9-phenyl-
Alternate Name(s) 9-Acetyl-8-phenyl-1,5,9-triazatricyclo[10.7.1.0(13,18)]icosa-13,15,17-triene-6,19-dione Acetyl-isocyclocelabenzine N9-acetylisocyclocelabenzene
CAS Registry Number 82544-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O3
InChI InChI=1S/C25H29N3O3/c1-18(29)28-15-12-20-17-27(25(31)22-11-6-5-10-21(20)22)14-7-13-26-24(30)16-23(28)19-8-3-2-4-9-19/h2-6,8-11,20,23H,7,12-17H2,1H3,(H,26,30)
InChIKey GMGZTEOGQJIHEJ-UHFFFAOYSA-N
Molecular Weight 419.525 g/mol
SMILES N1CCCN2C(c3c(C(CCN(C(CC1=O)c1ccccc1)C(=O)C)C2)cccc3)=O
SPLASH splash10-00or-2904300000-6315f9d1f38563125bd0
Source of Spectrum H-65-751-0
Wiley ID 1377644