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Benzyl (2S,5rs)-2-tert-butoxycarbonylamino-5-phenylhept-6-enoate

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Benzyl (2S,5rs)-2-tert-butoxycarbonylamino-5-phenylhept-6-enoate
SpectraBase Compound ID DhMkQzlc2Lb
InChI InChI=1S/C25H31NO4/c1-5-20(21-14-10-7-11-15-21)16-17-22(26-24(28)30-25(2,3)4)23(27)29-18-19-12-8-6-9-13-19/h5-15,20,22H,1,16-18H2,2-4H3,(H,26,28)/t20?,22-/m0/s1
InChIKey XIKKPGYKHBWFDN-IAXKEJLGSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYlk4Ku1SjX
Name Benzyl (2S,5rs)-2-tert-butoxycarbonylamino-5-phenylhept-6-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.225308478 u
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-5-20(21-14-10-7-11-15-21)16-17-22(26-24(28)30-25(2,3)4)23(27)29-18-19-12-8-6-9-13-19/h5-15,20,22H,1,16-18H2,2-4H3,(H,26,28)/t20?,22-/m0/s1
InChIKey XIKKPGYKHBWFDN-IAXKEJLGSA-N
Molecular Weight 409.526 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CCC(C=C)C=1C=CC=CC1)[H])(OC(C)(C)C)=O