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t-Butyl (2R,3R)-3-[2'-(benzyloxycarbonylmethylene)pyrrolidin-1'-yl]-2-ethylhexanoate
SpectraBase Compound ID 3UlkaQxq91g
InChI InChI=1S/C25H37NO4/c1-6-12-22(21(7-2)24(28)30-25(3,4)5)26-16-11-15-20(26)17-23(27)29-18-19-13-9-8-10-14-19/h8-10,13-14,17,21-22H,6-7,11-12,15-16,18H2,1-5H3/b20-17+/t21-,22-/m1/s1
InChIKey ZACBPRFMOJKWPU-REJJAFBISA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxA7QdWK6hZ
Name t-Butyl (2R,3R)-3-[2'-(benzyloxycarbonylmethylene)pyrrolidin-1'-yl]-2-ethylhexanoate
Alternate Name(s) (2R,3R)-tert-butyl 3-((E)-2-(2-(benzyloxy)-2-oxoethylidene)pyrrolidin-1-yl)-2-ethylhexanoate (2R,3R)-2-ethyl-3-[(2E)-2-(2-oxo-2-phenylmethoxyethylidene)-1-pyrrolidinyl]hexanoic acid tert-butyl ester tert-Butyl (2R,3R)-2-ethyl-3-[(2E)-2-(2-oxo-2-phenylmethoxyethylidene)pyrrolidin-1-yl]hexanoate tert-Butyl (2R,3R)-3-[(2E)-2-(2-benzyloxy-2-oxo-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoate tert-Butyl (2R,3R)-2-ethyl-3-[(2E)-2-(2-oxidanylidene-2-phenylmethoxy-ethylidene)pyrrolidin-1-yl]hexanoate
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Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-6-12-22(21(7-2)24(28)30-25(3,4)5)26-16-11-15-20(26)17-23(27)29-18-19-13-9-8-10-14-19/h8-10,13-14,17,21-22H,6-7,11-12,15-16,18H2,1-5H3/b20-17+/t21-,22-/m1/s1
InChIKey ZACBPRFMOJKWPU-REJJAFBISA-N
Molecular Weight 415.574 g/mol
SMILES C(\C=C\1N(CCC1)[C@@]([C@](C(OC(C)(C)C)=O)(CC)[H])(CCC)[H])(=O)OCc1ccccc1
SPLASH splash10-00xu-5191100000-937672928a92cd5699ff
Source of Spectrum F5-3-843-21a
Wiley ID 1732179