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(S)-1-[Methyl(3'-indolyl)]-3,3-dibromo-N-(t-butoxycarbonyl)-2-propenamine
SpectraBase Compound ID 2A3uddrLMUr
InChI InChI=1S/C17H20Br2N2O2/c1-17(2,3)23-16(22)21-12(9-15(18)19)8-11-10-20-14-7-5-4-6-13(11)14/h4-7,9-10,12,20H,8H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKey CIYWHVWMEJBJGL-LBPRGKRZSA-N
Mol Weight 444.17 g/mol
Molecular Formula C17H20Br2N2O2
Exact Mass 441.989154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NfFlo73wRg
Name (S)-1-[Methyl(3'-indolyl)]-3,3-dibromo-N-(t-butoxycarbonyl)-2-propenamine
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Formula C17H20Br2N2O2
InChI InChI=1S/C17H20Br2N2O2/c1-17(2,3)23-16(22)21-12(9-15(18)19)8-11-10-20-14-7-5-4-6-13(11)14/h4-7,9-10,12,20H,8H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKey CIYWHVWMEJBJGL-LBPRGKRZSA-N
Molecular Weight 444.167 g/mol
SMILES [nH]1c2c(c(C[C@@](C=C(Br)Br)(NC(OC(C)(C)C)=O)[H])c1)cccc2
SPLASH splash10-001i-2900000000-e0aeef8e479e15f420e3
Source of Spectrum F-52-10992-6
Synonyms tert-Butyl (1S)-3,3-dibromo-1-(1H-indol-3-ylmethyl)-2-propenylcarbamate
Wiley ID 798321