For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,2,2-trichloro-1,1-dimethylethyl 1-(Chloromethyl)-5-methoxy-1,2-dihydrobenz[e]indole-3-carboxylate
SpectraBase Compound ID zBYk9mgfQt
InChI InChI=1S/C19H19Cl4NO3/c1-18(2,19(21,22)23)27-17(25)24-10-11(9-20)16-13-7-5-4-6-12(13)15(26-3)8-14(16)24/h4-8,11H,9-10H2,1-3H3
InChIKey VHGHDEQCWXNOCL-UHFFFAOYSA-N
Mol Weight 451.2 g/mol
Molecular Formula C19H19Cl4NO3
Exact Mass 449.011904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3a4wgHO8BZB
Name 2,2,2-trichloro-1,1-dimethylethyl 1-(Chloromethyl)-5-methoxy-1,2-dihydrobenz[e]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl4NO3
InChI InChI=1S/C19H19Cl4NO3/c1-18(2,19(21,22)23)27-17(25)24-10-11(9-20)16-13-7-5-4-6-12(13)15(26-3)8-14(16)24/h4-8,11H,9-10H2,1-3H3
InChIKey VHGHDEQCWXNOCL-UHFFFAOYSA-N
Molecular Weight 451.177 g/mol
SMILES c12N(CC(c2c2ccccc2c(c1)OC)CCl)C(OC(C(Cl)(Cl)Cl)(C)C)=O
SPLASH splash10-0006-2970200000-7db00e27c9e61edff007
Source of Spectrum J-56-2244-23
Synonyms 2,2,2-trichloro-1,1-dimethylethyl 1-(chloromethyl)-5-methoxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
Wiley ID 1387392