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3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9,10-trimethoxy-2-oxo-, 2,2,2-trichloroethyl ester
SpectraBase Compound ID Bs0OTVmAbmX
InChI InChI=1S/C17H20Cl3NO6/c1-24-12-7-10-5-4-6-21(16(23)27-9-17(18,19)20)13(22)8-11(10)14(25-2)15(12)26-3/h7-8,10H,4-6,9H2,1-3H3/b11-8+
InChIKey WSXPPLCTAPAJLJ-DHZHZOJOSA-N
Mol Weight 440.71 g/mol
Molecular Formula C17H20Cl3NO6
Exact Mass 439.03562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYBeB02LPtp
Name 3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9,10-trimethoxy-2-oxo-, 2,2,2-trichloroethyl ester
Alternate Name(s) 2,2,2-Trichloroethyl 8,9,10-trimethoxy-2-oxo-3,4,5,6-tetrahydro-3-benzazocine-3-carboxylate 2,2,2-trichloroethyl 8,9,10-trimethoxy-2-oxo-4,5,6,6a-tetrahydro-3-benzazocine-3(2H)-carboxylate
CAS Registry Number 126480-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl3NO6
InChI InChI=1S/C17H20Cl3NO6/c1-24-12-7-10-5-4-6-21(16(23)27-9-17(18,19)20)13(22)8-11(10)14(25-2)15(12)26-3/h7-8,10H,4-6,9H2,1-3H3/b11-8+
InChIKey WSXPPLCTAPAJLJ-DHZHZOJOSA-N
Molecular Weight 440.707 g/mol
SMILES C1(N(CCCC2C=C(C(=C(\C2=C\1)OC)OC)OC)C(OCC(Cl)(Cl)Cl)=O)=O
SPLASH splash10-0006-0040900000-16b85bbdcddf2d89699f
Source of Spectrum KC-1989-1935-24
Wiley ID 1384367