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(2S,3S)-2-(tert-Butyloxycarbonylamino)hep-6-ene-1,3-diol
SpectraBase Compound ID 3XYwCTe14u0
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-UWVGGRQHSA-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 8r6Rzr2Pag0
Name (2S,3S)-2-(tert-Butyloxycarbonylamino)hep-6-ene-1,3-diol
Alternate Name(s) tert-Butyl (1S,2S)-2-hydroxy-1-(hydroxymethyl)-5-hexenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-UWVGGRQHSA-N
Molecular Weight 245.319 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CO)([C@@](O)(CCC=C)[H])[H]
SPLASH splash10-0a4i-9000000000-8fead45c5301e2b829ad
Source of Spectrum F-52-13476-8
Wiley ID 799437