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

*Links on SpectraBase are not permalinks.

9-Acetyl-2-phenyl-1,5,9-triazacyclotridecan-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9-Acetyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
SpectraBase Compound ID JwK737CeXAX
InChI InChI=1S/C18H27N3O2/c1-15(22)21-12-6-5-10-19-17(16-8-3-2-4-9-16)14-18(23)20-11-7-13-21/h2-4,8-9,17,19H,5-7,10-14H2,1H3,(H,20,23)
InChIKey HQNCQVDTHUJBKD-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C18H27N3O2
Exact Mass 317.210327 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 KqWBKR7iUp2
Name 9-Acetyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N3O2
InChI InChI=1S/C18H27N3O2/c1-15(22)21-12-6-5-10-19-17(16-8-3-2-4-9-16)14-18(23)20-11-7-13-21/h2-4,8-9,17,19H,5-7,10-14H2,1H3,(H,20,23)
InChIKey HQNCQVDTHUJBKD-UHFFFAOYSA-N
Molecular Weight 317.433 g/mol
SMILES N1CCCN(CCCCNC(c2ccccc2)CC1=O)C(=O)C
SPLASH splash10-0fdk-4900000000-e966e7122feab61e97f4
Source of Spectrum H-79-1092-12
Synonyms 9-Ethanoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
Wiley ID 1317750