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2-[1'-(Tert-butyloxycarbonyl)indol-3'-yl)ethyl trichloroacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[1'-(Tert-butyloxycarbonyl)indol-3'-yl)ethyl trichloroacetate
SpectraBase Compound ID IlEx3c4cCPc
InChI InChI=1S/C17H18Cl3NO4/c1-16(2,3)25-15(23)21-10-11(12-6-4-5-7-13(12)21)8-9-24-14(22)17(18,19)20/h4-7,10H,8-9H2,1-3H3
InChIKey XKVKXWQMRFKIKR-UHFFFAOYSA-N
Mol Weight 406.69 g/mol
Molecular Formula C17H18Cl3NO4
Exact Mass 405.030141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3yaPG2b9EE
Name 2-[1'-(Tert-butyloxycarbonyl)indol-3'-yl)ethyl trichloroacetate
Comments Computed using HOSE algorithm
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Exact Mass 405.030141160 u
Formula C17H18Cl3NO4
InChI InChI=1S/C17H18Cl3NO4/c1-16(2,3)25-15(23)21-10-11(12-6-4-5-7-13(12)21)8-9-24-14(22)17(18,19)20/h4-7,10H,8-9H2,1-3H3
InChIKey XKVKXWQMRFKIKR-UHFFFAOYSA-N
Molecular Weight 406.693 g/mol
SMILES C(N1C=C(CCOC(C(Cl)(Cl)Cl)=O)C2=C1C=CC=C2)(OC(C)(C)C)=O