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3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9-dimethoxy-2-oxo-, 1,1-dimethylethyl ester
SpectraBase Compound ID JEVYWF6pFb1
InChI InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-8-6-7-12-9-14(22-4)15(23-5)10-13(12)11-16(19)20/h9-10H,6-8,11H2,1-5H3
InChIKey BOCWJXDEAUVELU-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7F5gdwcIYQ2
Name 3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9-dimethoxy-2-oxo-, 1,1-dimethylethyl ester
CAS Registry Number 126480-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-8-6-7-12-9-14(22-4)15(23-5)10-13(12)11-16(19)20/h9-10H,6-8,11H2,1-5H3
InChIKey BOCWJXDEAUVELU-UHFFFAOYSA-N
Molecular Weight 335.400 g/mol
SMILES C(N1C(Cc2cc(OC)c(cc2CCC1)OC)=O)(OC(C)(C)C)=O
SPLASH splash10-0ar9-5290000000-2fd6249a44e86e904831
Source of Spectrum KC-1989-1935-20
Synonyms t-Butyl 8,9-dimethoxy-2-oxo-3,4,5,6-tetrahydro-3-benzazo-cine-3-carboxylate tert-Butyl 8,9-dimethoxy-2-oxo-1,4,5,6-tetrahydro-3-benzazocine-3(2H)-carboxylate
Wiley ID 1331678