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(S)-2-N,N-Di-tert-butyloxycarbonylamino-7-(2-ethyl[1,3]dioxolan-2-yl)hept-5-enoic acid methyl ester
SpectraBase Compound ID 5nANbpCjdwa
InChI InChI=1S/C23H39NO8/c1-9-23(29-15-16-30-23)14-12-10-11-13-17(18(25)28-8)24(19(26)31-21(2,3)4)20(27)32-22(5,6)7/h10,12,17H,9,11,13-16H2,1-8H3/b12-10+/t17-/m0/s1
InChIKey HKSUGRLWZJARSP-JICACKBISA-N
Mol Weight 457.6 g/mol
Molecular Formula C23H39NO8
Exact Mass 457.267567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bo3r7AeLI12
Name (S)-2-N,N-Di-tert-butyloxycarbonylamino-7-(2-ethyl[1,3]dioxolan-2-yl)hept-5-enoic acid methyl ester
Alternate Name(s) Methyl (2S,5E)-2-[bis(tert-butoxycarbonyl)amino]-7-(2-ethyl-1,3-dioxolan-2-yl)-5-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H39NO8
InChI InChI=1S/C23H39NO8/c1-9-23(29-15-16-30-23)14-12-10-11-13-17(18(25)28-8)24(19(26)31-21(2,3)4)20(27)32-22(5,6)7/h10,12,17H,9,11,13-16H2,1-8H3/b12-10+/t17-/m0/s1
InChIKey HKSUGRLWZJARSP-JICACKBISA-N
Molecular Weight 457.564 g/mol
SMILES C(N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(CC\C=C\CC1(OCCO1)CC)[H])(OC(C)(C)C)=O
SPLASH splash10-0a4i-0490400000-f560eb0773a06f1dfb7e
Source of Spectrum F4-0-2070-9
Wiley ID 1619965