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(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid tert-butyl ester
SpectraBase Compound ID CgmcnrGwz5Y
InChI InChI=1S/C25H29NO4/c1-5-6-15-22(23(27)30-25(2,3)4)26-24(28)29-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h5,7-14,21-22H,1,6,15-16H2,2-4H3,(H,26,28)/t22-/m0/s1
InChIKey DHKZYPKAGYTKNS-QFIPXVFZSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 401uX8z51mS
Name (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.209658414 u
Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-5-6-15-22(23(27)30-25(2,3)4)26-24(28)29-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h5,7-14,21-22H,1,6,15-16H2,2-4H3,(H,26,28)/t22-/m0/s1
InChIKey DHKZYPKAGYTKNS-QFIPXVFZSA-N
Molecular Weight 407.510 g/mol
SMILES C([C@](CCC=C)(NC(=O)OCC1C=2C=CC=CC2C=2C=CC=CC12)[H])(=O)OC(C)(C)C