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L-gluco-Nonitol, 7-amino-1,2,3,4,6,7,8,9-octadeoxy-6,9-epithio-8-[(methoxycarbonyl)amino]-
SpectraBase Compound ID 1AHinYsIIyj
InChI InChI=1S/C11H22N2O3S/c1-3-4-5-8(14)10-9(12)7(6-17-10)13-11(15)16-2/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t7-,8+,9-,10-/m0/s1
InChIKey DGQSOCNNNUFFLF-JXUBOQSCSA-N
Mol Weight 262.37 g/mol
Molecular Formula C11H22N2O3S
Exact Mass 262.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqEBlUC12f5
Name L-gluco-Nonitol, 7-amino-1,2,3,4,6,7,8,9-octadeoxy-6,9-epithio-8-[(methoxycarbonyl)amino]-
Alternate Name(s) 7-amino-6,9-anhydro-1,2,3,4,7,8-hexadeoxy-8-[(methoxycarbonyl)amino]-6-thio-L-gluco-nonitol [2R-[2.alpha.(R*),3.alpha.,4.alpha.]]-.alpha.-butyltetrahydro-4-[(methoxycarbonyl)amino]-3-amino-2-thiophenemethanol
CAS Registry Number 76176-76-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22N2O3S
InChI InChI=1S/C11H22N2O3S/c1-3-4-5-8(14)10-9(12)7(6-17-10)13-11(15)16-2/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t7-,8+,9-,10-/m0/s1
InChIKey DGQSOCNNNUFFLF-JXUBOQSCSA-N
Molecular Weight 262.368 g/mol
SMILES N[C@]1([C@](CS[C@]1([C@](O)(CCCC)[H])[H])(NC(=O)OC)[H])[H]
SPLASH splash10-004i-9200000000-56ed5d9df4fc3bbf0575
Source of Spectrum F-43-4899-17
Wiley ID 1265356