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1,5,9-Triazacyclotridecane-1,5-dicarboxylic acid, 6-[2-(acetyloxy)ethyl]-8-oxo-, bis(1,1-dimethylethyl) ester, (.+-.)-
SpectraBase Compound ID 4RI30kqNQZA
InChI InChI=1S/C24H43N3O7/c1-18(28)32-16-11-19-17-20(29)25-12-8-9-13-26(21(30)33-23(2,3)4)14-10-15-27(19)22(31)34-24(5,6)7/h19H,8-17H2,1-7H3,(H,25,29)
InChIKey PNXDJZLOSISOPB-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C24H43N3O7
Exact Mass 485.310101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AyVyCA48Sf
Name 1,5,9-Triazacyclotridecane-1,5-dicarboxylic acid, 6-[2-(acetyloxy)ethyl]-8-oxo-, bis(1,1-dimethylethyl) ester, (.+-.)-
CAS Registry Number 119740-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H43N3O7
InChI InChI=1S/C24H43N3O7/c1-18(28)32-16-11-19-17-20(29)25-12-8-9-13-26(21(30)33-23(2,3)4)14-10-15-27(19)22(31)34-24(5,6)7/h19H,8-17H2,1-7H3,(H,25,29)
InChIKey PNXDJZLOSISOPB-UHFFFAOYSA-N
Molecular Weight 485.622 g/mol
SMILES N1CCCCN(CCCN(C(CC1=O)CCOC(=O)C)C(OC(C)(C)C)=O)C(OC(C)(C)C)=O
SPLASH splash10-001i-0096100000-6589912157bd26f00d03
Source of Spectrum F-44-3370-9
Synonyms 7,11-bis-tert-butoxycarbonyl-12-(2-acetoxyethyl)-2,7,11-triazatridecanone di(tert-butyl) 6-[2-(acetyloxy)ethyl]-8-oxo-1,5,9-triazacyclotridecane-1,5-dicarboxylate
Wiley ID 1396259