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2H-2-Benzazepine-2-carboxylic acid, 1,3,4,5-tetrahydro-7,8-dimethoxy-1-methylene-, 2,2,2-trichloro-1,1-dimethylethyl ester

View entire compound with spectra: 1 MS (GC)

2H-2-Benzazepine-2-carboxylic acid, 1,3,4,5-tetrahydro-7,8-dimethoxy-1-methylene-, 2,2,2-trichloro-1,1-dimethylethyl ester
SpectraBase Compound ID 4k0c9mwAnMX
InChI InChI=1S/C18H22Cl3NO4/c1-11-13-10-15(25-5)14(24-4)9-12(13)7-6-8-22(11)16(23)26-17(2,3)18(19,20)21/h9-10H,1,6-8H2,2-5H3
InChIKey AOMITWWWBPKFGR-UHFFFAOYSA-N
Mol Weight 422.74 g/mol
Molecular Formula C18H22Cl3NO4
Exact Mass 421.061441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBSW3wxRITu
Name 2H-2-Benzazepine-2-carboxylic acid, 1,3,4,5-tetrahydro-7,8-dimethoxy-1-methylene-, 2,2,2-trichloro-1,1-dimethylethyl ester
CAS Registry Number 126480-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22Cl3NO4
InChI InChI=1S/C18H22Cl3NO4/c1-11-13-10-15(25-5)14(24-4)9-12(13)7-6-8-22(11)16(23)26-17(2,3)18(19,20)21/h9-10H,1,6-8H2,2-5H3
InChIKey AOMITWWWBPKFGR-UHFFFAOYSA-N
Molecular Weight 422.736 g/mol
SMILES C1(N(CCCc2cc(c(cc12)OC)OC)C(OC(C(Cl)(Cl)Cl)(C)C)=O)=C
SPLASH splash10-00di-0090000000-789711d11c6ea0a39ced
Source of Spectrum KC-1989-1936-25
Synonyms 2,2,2-trichloro-1,1-dimethylethyl 7,8-dimethoxy-1-methylene-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carboxylate 2,2,2-Trichloro-1,1-dimethylethyl 7,8-dimethoxy-1-methylene-2,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
Wiley ID 1378256