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7,8-Dihydro-6H-thieno[3,2-e]indole-2,6-dicarboxylic acid, 6-(2,2,2-trichloroethyl) 2-ethyl ester
SpectraBase Compound ID BHB2976h2m6
InChI InChI=1S/C16H14Cl3NO4S/c1-2-23-14(21)13-7-10-9-5-6-20(11(9)3-4-12(10)25-13)15(22)24-8-16(17,18)19/h3-4,7H,2,5-6,8H2,1H3
InChIKey AHOJGXMZKYJHMO-UHFFFAOYSA-N
Mol Weight 422.71 g/mol
Molecular Formula C16H14Cl3NO4S
Exact Mass 420.970912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCszRALyNy8
Name 7,8-Dihydro-6H-thieno[3,2-e]indole-2,6-dicarboxylic acid, 6-(2,2,2-trichloroethyl) 2-ethyl ester
Alternate Name(s) 2-Ethyl 6-(2,2,2-trichloroethyl) 7,8-dihydro-6H-thieno[3,2-e]indole-2,6-dicarboxylate
CAS Registry Number 105518-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14Cl3NO4S
InChI InChI=1S/C16H14Cl3NO4S/c1-2-23-14(21)13-7-10-9-5-6-20(11(9)3-4-12(10)25-13)15(22)24-8-16(17,18)19/h3-4,7H,2,5-6,8H2,1H3
InChIKey AHOJGXMZKYJHMO-UHFFFAOYSA-N
Molecular Weight 422.710 g/mol
SMILES c12N(CCc2c2cc(C(=O)OCC)sc2cc1)C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-00di-7810900000-1542302d967bff171e35
Source of Spectrum J-52-26-32
Wiley ID 1378244