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2,2,2-trichloro-1,1-dimethylethyl 1-(Carboxymethyl)-5-methoxy-1,2-dihydrobenz[e]indole-3-carboxylate
SpectraBase Compound ID 885sUHJjkyn
InChI InChI=1S/C20H20Cl3NO5/c1-19(2,20(21,22)23)29-18(27)24-10-11(8-16(25)26)17-13-7-5-4-6-12(13)15(28-3)9-14(17)24/h4-7,9,11H,8,10H2,1-3H3,(H,25,26)
InChIKey LWWSRGBHWRNMPM-UHFFFAOYSA-N
Mol Weight 460.74 g/mol
Molecular Formula C20H20Cl3NO5
Exact Mass 459.040706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Abipxj7AqpV
Name 2,2,2-trichloro-1,1-dimethylethyl 1-(Carboxymethyl)-5-methoxy-1,2-dihydrobenz[e]indole-3-carboxylate
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Formula C20H20Cl3NO5
InChI InChI=1S/C20H20Cl3NO5/c1-19(2,20(21,22)23)29-18(27)24-10-11(8-16(25)26)17-13-7-5-4-6-12(13)15(28-3)9-14(17)24/h4-7,9,11H,8,10H2,1-3H3,(H,25,26)
InChIKey LWWSRGBHWRNMPM-UHFFFAOYSA-N
Molecular Weight 460.741 g/mol
SMILES OC(CC1CN(c2c1c1ccccc1c(c2)OC)C(OC(C(Cl)(Cl)Cl)(C)C)=O)=O
SPLASH splash10-0002-2930100000-b4c24a9ae9acb1e9008e
Source of Spectrum J-56-2244-22
Synonyms {5-methoxy-3-[(2,2,2-trichloro-1,1-dimethylethoxy)carbonyl]-2,3-dihydro-1H-benzo[e]indol-1-yl}acetic acid
Wiley ID 1390168