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N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine

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N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine
SpectraBase Compound ID ImCX6bSgWtd
InChI InChI=1S/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m0/s1
InChIKey WTBXFPFCUZKREB-XIFFEERXSA-N
Mol Weight 599.6 g/mol
Molecular Formula C36H29N3O6
Exact Mass 599.205636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oBmkyEvmiF
Name N,N'-bis(9-Fluorenylmethyloxycarbonyl)-L-histidine
Comments Computed using HOSE algorithm
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Exact Mass 599.205635660 u
Formula C36H29N3O6
InChI InChI=1S/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m0/s1
InChIKey WTBXFPFCUZKREB-XIFFEERXSA-N
Molecular Weight 599.643 g/mol
SMILES N([C@](C(O)=O)(CC=1N=CN(C1)C(OCC1C=2C=CC=CC2C=2C=CC=CC12)=O)[H])C(OCC1C=2C=CC=CC2C=2C=CC=CC12)=O