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(E)-(S)-8-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-5-hydroxy-6-octenyl pivalate

View entire compound with spectra: 1 MS (GC)

(E)-(S)-8-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-5-hydroxy-6-octenyl pivalate
SpectraBase Compound ID AjpDIsWI0yi
InChI InChI=1S/C25H39NO5/c1-24(2,3)22(28)30-18-11-10-15-21(27)16-12-17-26(23(29)31-25(4,5)6)19-20-13-8-7-9-14-20/h7-9,12-14,16,21,27H,10-11,15,17-19H2,1-6H3/b16-12+/t21-/m0/s1
InChIKey IAZXCSUMHCVEJM-AUFJSOOLSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aO25qO5dUd
Name (E)-(S)-8-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-5-hydroxy-6-octenyl pivalate
Alternate Name(s) (5S,6E)-8-[benzyl(tert-butoxycarbonyl)amino]-5-hydroxy-6-octenyl pivalate (E)-(S)-8-(N-Benzyl-N-tert-butoxycarbonyl)-5-hydroxy-6-octenyl pivalate
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Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-24(2,3)22(28)30-18-11-10-15-21(27)16-12-17-26(23(29)31-25(4,5)6)19-20-13-8-7-9-14-20/h7-9,12-14,16,21,27H,10-11,15,17-19H2,1-6H3/b16-12+/t21-/m0/s1
InChIKey IAZXCSUMHCVEJM-AUFJSOOLSA-N
Molecular Weight 433.589 g/mol
SMILES O[C@](\C=C\CN(C(OC(C)(C)C)=O)Cc1ccccc1)(CCCCOC(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-9000000000-a36c7896e1b130765d11
Source of Spectrum F-54-6399-14
Wiley ID 807195