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(3S)-anti-2-n-butyl-3-[N-(tert-butoxycarbonyl)amino]heptan-1-ol
SpectraBase Compound ID Bb13yPez6ow
InChI InChI=1S/C16H33NO3/c1-6-8-10-13(12-18)14(11-9-7-2)17-15(19)20-16(3,4)5/h13-14,18H,6-12H2,1-5H3,(H,17,19)/t13?,14-/m0/s1
InChIKey NUCCIQSIOIVYAE-KZUDCZAMSA-N
Mol Weight 287.4 g/mol
Molecular Formula C16H33NO3
Exact Mass 287.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpNV8uxKuAo
Name (3S)-anti-2-n-butyl-3-[N-(tert-butoxycarbonyl)amino]heptan-1-ol
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Formula C16H33NO3
InChI InChI=1S/C16H33NO3/c1-6-8-10-13(12-18)14(11-9-7-2)17-15(19)20-16(3,4)5/h13-14,18H,6-12H2,1-5H3,(H,17,19)/t13?,14-/m0/s1
InChIKey NUCCIQSIOIVYAE-KZUDCZAMSA-N
Molecular Weight 287.444 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(CO)CCCC)(CCCC)[H]
SPLASH splash10-0a4i-9200000000-eea933115e74e743191e
Source of Spectrum J-58-4762-8
Synonyms (3S)-syn-2-n-butyl-3-[N-(tert-butoxycarbonyl)amino]heptan-1-ol tert-Butyl (1S)-1-butyl-2-(hydroxymethyl)hexylcarbamate
Wiley ID 1290847