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Methyl 5-((1'S,2'R)-2'-(benzyl(tert-butoxycarbonyl)amino)-1'-formylcyclohex-3'-enyl)pentanoate
SpectraBase Compound ID IDDtVAlYzRg
InChI InChI=1S/C25H35NO5/c1-24(2,3)31-23(29)26(18-20-12-6-5-7-13-20)21-14-8-10-16-25(21,19-27)17-11-9-15-22(28)30-4/h5-8,12-14,19,21H,9-11,15-18H2,1-4H3/t21-,25+/m1/s1
InChIKey XNHPHTYLYOVTPW-BWKNWUBXSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO5
Exact Mass 429.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JvYmojjAe
Name Methyl 5-((1'S,2'R)-2'-(benzyl(tert-butoxycarbonyl)amino)-1'-formylcyclohex-3'-enyl)pentanoate
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Formula C25H35NO5
InChI InChI=1S/C25H35NO5/c1-24(2,3)31-23(29)26(18-20-12-6-5-7-13-20)21-14-8-10-16-25(21,19-27)17-11-9-15-22(28)30-4/h5-8,12-14,19,21H,9-11,15-18H2,1-4H3/t21-,25+/m1/s1
InChIKey XNHPHTYLYOVTPW-BWKNWUBXSA-N
Molecular Weight 429.557 g/mol
SMILES C(N([C@]1([C@](C=O)(CCCCC(=O)OC)CCC=C1)[H])Cc1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-0089-0019000000-e013d1e103af96538f3a
Source of Spectrum F-67-7995-29
Wiley ID 1687603