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(4R*,5R,RS)-Methyl N-(tert-butanesulfinyl)-5-amino-7-methyl-4-nitrooctanoate
SpectraBase Compound ID Ee26r0VzCMv
InChI InChI=1S/C14H28N2O5S/c1-10(2)9-11(15-22(20)14(3,4)5)12(16(18)19)7-8-13(17)21-6/h10-12,15H,7-9H2,1-6H3/t11-,12-,22?/m1/s1
InChIKey SUFLEABACNLYLH-BQWHXBCFSA-N
Mol Weight 336.45 g/mol
Molecular Formula C14H28N2O5S
Exact Mass 336.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq8SYMmdJV8
Name (4R*,5R,RS)-Methyl N-(tert-butanesulfinyl)-5-amino-7-methyl-4-nitrooctanoate
Alternate Name(s) (4R,5R)-methyl 5-((R)-1,1-dimethylethylsulfinamido)-7-methyl-4-nitrooctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28N2O5S
InChI InChI=1S/C14H28N2O5S/c1-10(2)9-11(15-22(20)14(3,4)5)12(16(18)19)7-8-13(17)21-6/h10-12,15H,7-9H2,1-6H3/t11-,12-,22?/m1/s1
InChIKey SUFLEABACNLYLH-BQWHXBCFSA-N
Literature Reference DOI 10.3987/COM-14-S(K)103
Molecular Weight 336.447 g/mol
SMILES N([C@@]([C@@](CCC(=O)OC)([N+](=O)[O-])[H])(CC(C)C)[H])[S@@](C(C)(C)C)=O
SPLASH splash10-03ea-9700000000-0c10e3d23a30aed7f11f
Source of Spectrum H1-90-1427-9ba
Wiley ID 1755500