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6-Methoxy-3-(bromomethyl)-2,3-dihydro-1H-indole-1-carboxylic acid, 2,2,2-trichloro-1,1-dimethylethyl ester
SpectraBase Compound ID JE4gJPM3bvv
InChI InChI=1S/C15H17BrCl3NO3/c1-14(2,15(17,18)19)23-13(21)20-8-9(7-16)11-5-4-10(22-3)6-12(11)20/h4-6,9H,7-8H2,1-3H3
InChIKey UJVABBAUBXOGKD-UHFFFAOYSA-N
Mol Weight 445.57 g/mol
Molecular Formula C15H17BrCl3NO3
Exact Mass 442.94574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oYkFQCVQuo
Name 6-Methoxy-3-(bromomethyl)-2,3-dihydro-1H-indole-1-carboxylic acid, 2,2,2-trichloro-1,1-dimethylethyl ester
CAS Registry Number 123380-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrCl3NO3
InChI InChI=1S/C15H17BrCl3NO3/c1-14(2,15(17,18)19)23-13(21)20-8-9(7-16)11-5-4-10(22-3)6-12(11)20/h4-6,9H,7-8H2,1-3H3
InChIKey UJVABBAUBXOGKD-UHFFFAOYSA-N
Molecular Weight 445.568 g/mol
SMILES C(N1c2c(ccc(c2)OC)C(C1)CBr)(OC(C(Cl)(Cl)Cl)(C)C)=O
SPLASH splash10-01ox-2900100000-634782811f9abe356224
Source of Spectrum J-54-5987-13
Synonyms 2,2,2-trichloro-1,1-dimethylethyl 3-(bromomethyl)-6-methoxy-1-indolinecarboxylate
Wiley ID 1385677