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3-Benzazacyclododecine-5-carboxylic acid, 1,2,3,4,5,6,7,8,9,10-decahydro-12,13-dimethoxy-4,10-dioxo-, dimethyl ester
SpectraBase Compound ID oWgXXdYAgs
InChI InChI=1S/C19H25NO6/c1-24-16-10-12-8-9-20-18(22)13(19(23)26-3)6-4-5-7-15(21)14(12)11-17(16)25-2/h10-11,13H,4-9H2,1-3H3,(H,20,22)
InChIKey CPHODASXNLIUEJ-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C19H25NO6
Exact Mass 363.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GgxOVHZzGS
Name 3-Benzazacyclododecine-5-carboxylic acid, 1,2,3,4,5,6,7,8,9,10-decahydro-12,13-dimethoxy-4,10-dioxo-, dimethyl ester
CAS Registry Number 78631-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO6
InChI InChI=1S/C19H25NO6/c1-24-16-10-12-8-9-20-18(22)13(19(23)26-3)6-4-5-7-15(21)14(12)11-17(16)25-2/h10-11,13H,4-9H2,1-3H3,(H,20,22)
InChIKey CPHODASXNLIUEJ-UHFFFAOYSA-N
Molecular Weight 363.410 g/mol
SMILES N1CCc2cc(c(cc2C(CCCCC(C1=O)C(=O)OC)=O)OC)OC
SPLASH splash10-0006-0904000000-e7bdb7279211ca452cea
Source of Spectrum K-114-2176-0
Synonyms Methyl 12,13-dimethoxy-4,10-dioxo-1,2,3,4,5,6,7,8,9,10-decahydro-3-benzazacyclododecine-5-carboxylate Methylester of 1,2,3,4,5,6,7,8,9,10-decahydro-12,13-dimethoxy-4,10-dioxo-3-benzazacyclododecyn-5-carboxylic acid
Wiley ID 1350216