For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Phenyl-9-(phenylcarbonyl)-1,5,9-triazacyclotridecan-4-one
SpectraBase Compound ID HUPNawNDynJ
InChI InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)
InChIKey LSYKFBZWBDMZLQ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C23H29N3O2
Exact Mass 379.225977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LnwFtQWIVax
Name 2-Phenyl-9-(phenylcarbonyl)-1,5,9-triazacyclotridecan-4-one
Alternate Name(s) 9-Benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one Celabenzine
CAS Registry Number 53938-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29N3O2
InChI InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)
InChIKey LSYKFBZWBDMZLQ-UHFFFAOYSA-N
Molecular Weight 379.504 g/mol
SMILES N1CCCN(CCCCNC(c2ccccc2)CC1=O)C(=O)c1ccccc1
SPLASH splash10-0a4i-6900000000-27ad749800e4e88e5f78
Source of Spectrum H-65-750-0
Wiley ID 1359365