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t-Butyl 3,5-dibromo-4-(3'-bromopropoxy)phenethyl-carbamate

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

t-Butyl 3,5-dibromo-4-(3'-bromopropoxy)phenethyl-carbamate
SpectraBase Compound ID KPP1daWDGKJ
InChI InChI=1S/C16H22Br3NO3/c1-16(2,3)23-15(21)20-7-5-11-9-12(18)14(13(19)10-11)22-8-4-6-17/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKey MJNWIUSLXRTJJA-UHFFFAOYSA-N
Mol Weight 516.07 g/mol
Molecular Formula C16H22Br3NO3
Exact Mass 512.914983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkVQIoVvfwp
Name T-Butyl 3,5-dibromo-4-(3'-bromopropoxy)phenethyl-carbamate
Comments Computed using HOSE algorithm
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Exact Mass 512.914982569 u
Formula C16H22Br3NO3
InChI InChI=1S/C16H22Br3NO3/c1-16(2,3)23-15(21)20-7-5-11-9-12(18)14(13(19)10-11)22-8-4-6-17/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKey MJNWIUSLXRTJJA-UHFFFAOYSA-N
Molecular Weight 516.068 g/mol
SMILES C=1(C(=CC(=CC1Br)CCNC(OC(C)(C)C)=O)Br)OCCCBr