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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPA8K8r0JrH
Name Benzyl (2S,5RS)-2-tert-Butoxycarbonylamino-5-phenylhept-6-enoate
Alternate Name(s) benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-phenyl-6-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCC(C=C)c1ccccc1)[H]
SPLASH splash10-0229-0908000000-6a9e2a3ec8fe442785b2
Source of Spectrum KC-0-1907-12
Wiley ID 825707