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(2S,3R)-2-(tert-Butyloxycarbonylamino)hep-6-ene-1,3-diol
SpectraBase Compound ID 7b9YE1vVgAe
InChI InChI=1S/C12H23NO4/c1-5-6-7-10(15)9(8-14)13-11(16)17-12(2,3)4/h5,9-10,14-15H,1,6-8H2,2-4H3,(H,13,16)/t9-,10+/m0/s1
InChIKey AWGPYWJZBSMBEX-VHSXEESVSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdEzNcAMdiU
Name (2S,3R)-2-(tert-Butyloxycarbonylamino)hep-6-ene-1,3-diol
Alternate Name(s) tert-Butyl (1S,2R)-2-hydroxy-1-(hydroxymethyl)-5-hexenylcarbamate
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Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-5-6-7-10(15)9(8-14)13-11(16)17-12(2,3)4/h5,9-10,14-15H,1,6-8H2,2-4H3,(H,13,16)/t9-,10+/m0/s1
InChIKey AWGPYWJZBSMBEX-VHSXEESVSA-N
Molecular Weight 245.319 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CO)([C@](O)(CCC=C)[H])[H]
SPLASH splash10-0bt9-9400000000-e6247bb1ec43315593e3
Source of Spectrum F-52-13475-7
Wiley ID 799438