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N-cbz-6-Bromo-hexylamine
SpectraBase Compound ID BtEep7YjAtq
InChI InChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChIKey RXHBKEAMZCXXSJ-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C14H20BrNO2
Exact Mass 313.067742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bbr5VRJ1pic
Name N-cbz-6-Bromo-hexylamine
Comments Computed using HOSE algorithm
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Exact Mass 313.067741886 u
Formula C14H20BrNO2
InChI InChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChIKey RXHBKEAMZCXXSJ-UHFFFAOYSA-N
Molecular Weight 314.223 g/mol
SMILES C(OC(NCCCCCCBr)=O)C1=CC=CC=C1