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

*Links on SpectraBase are not permalinks.
5-(tert-Butoxycarbonyl)-1-(2-cyanoethyl)-4-heptyl-1,5-diazacyclononan-2-one
SpectraBase Compound ID 4OnC3qbF45U
InChI InChI=1S/C22H39N3O3/c1-5-6-7-8-9-13-19-18-20(26)24(16-12-14-23)15-10-11-17-25(19)21(27)28-22(2,3)4/h19H,5-13,15-18H2,1-4H3
InChIKey CAZUIHZPNHHYNS-UHFFFAOYSA-N
Mol Weight 393.6 g/mol
Molecular Formula C22H39N3O3
Exact Mass 393.299142 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 11E1VQjemfx
Name 5-(tert-Butoxycarbonyl)-1-(2-cyanoethyl)-4-heptyl-1,5-diazacyclononan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39N3O3
InChI InChI=1S/C22H39N3O3/c1-5-6-7-8-9-13-19-18-20(26)24(16-12-14-23)15-10-11-17-25(19)21(27)28-22(2,3)4/h19H,5-13,15-18H2,1-4H3
InChIKey CAZUIHZPNHHYNS-UHFFFAOYSA-N
Molecular Weight 393.572 g/mol
SMILES C(N1C(CC(N(CCC#N)CCCC1)=O)CCCCCCC)(OC(C)(C)C)=O
SPLASH splash10-0006-0910000000-ea233e0fba5033ba4684
Source of Spectrum F-49-6803-17
Synonyms tert-Butyl 5-(2-cyanoethyl)-2-heptyl-4-oxooctahydro-1H-1,5-diazonine-1-carboxylate
Wiley ID 1366303