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

*Links on SpectraBase are not permalinks.
1,5,9-Triazacyclotridecane-1,5-dicarboxylic acid, 6-(2-hydroxyethyl)-8-oxo-, bis(1,1-dimethylethyl) ester, (.+-.)-
SpectraBase Compound ID FiWKWqEuTW4
InChI InChI=1S/C22H41N3O6/c1-21(2,3)30-19(28)24-12-8-7-11-23-18(27)16-17(10-15-26)25(14-9-13-24)20(29)31-22(4,5)6/h17,26H,7-16H2,1-6H3,(H,23,27)
InChIKey ZZUGWQZTWKOMTE-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C22H41N3O6
Exact Mass 443.299536 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 KIlFHbla4Fg
Name 1,5,9-Triazacyclotridecane-1,5-dicarboxylic acid, 6-(2-hydroxyethyl)-8-oxo-, bis(1,1-dimethylethyl) ester, (.+-.)-
CAS Registry Number 98262-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41N3O6
InChI InChI=1S/C22H41N3O6/c1-21(2,3)30-19(28)24-12-8-7-11-23-18(27)16-17(10-15-26)25(14-9-13-24)20(29)31-22(4,5)6/h17,26H,7-16H2,1-6H3,(H,23,27)
InChIKey ZZUGWQZTWKOMTE-UHFFFAOYSA-N
Molecular Weight 443.585 g/mol
SMILES N1CCCCN(CCCN(C(CCO)CC1=O)C(OC(C)(C)C)=O)C(OC(C)(C)C)=O
SPLASH splash10-0006-0493000000-7c0f45c97d1d53f9ba93
Source of Spectrum F-44-3370-10
Synonyms 7,11-bis-tert-butoxycarbonyl-12-(2-hydroxyethyl)-2,7,11-triazatridecanone di(tert-butyl) 6-(2-hydroxyethyl)-8-oxo-1,5,9-triazacyclotridecane-1,5-dicarboxylate
Wiley ID 1385702