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(1'S,'S,3'S)-1-[2'-(tert-Butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexene
SpectraBase Compound ID 5A7TvSv3tiV
InChI InChI=1S/C20H29NO3/c1-20(2,3)24-19(23)21-17(14-15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4,6-8,10-12,16-18,22H,5,9,13-14H2,1-3H3,(H,21,23)/t16?,17-,18-/m0/s1
InChIKey OPNOOWGVFOQCMI-FQECFTEESA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rB5Fpjm4aR
Name (1'S,'S,3'S)-1-[2'-(tert-Butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexene
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Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-20(2,3)24-19(23)21-17(14-15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4,6-8,10-12,16-18,22H,5,9,13-14H2,1-3H3,(H,21,23)/t16?,17-,18-/m0/s1
InChIKey OPNOOWGVFOQCMI-FQECFTEESA-N
Molecular Weight 331.456 g/mol
SMILES N([C@]([C@](C1C=CCCC1)(O)[H])(Cc1ccccc1)[H])C(OC(C)(C)C)=O
SPLASH splash10-004i-9001000000-67f2f5b527a93eadd7b7
Source of Spectrum F-52-7388-38
Synonyms ((1S,2S)-1-Benzyl-2-cyclohexyl-2-hydroxy-ethyl)-carbamic acid tert-butyl ester (1'S,2'S,)-1-[2'-(tert-Butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexane
Wiley ID 796844