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(4R*,5R,RS)-Methyl N-(tert-butanesulfinyl)-5-amino-4-nitrotridecanoate
SpectraBase Compound ID 7MFO43Fnlwi
InChI InChI=1S/C18H36N2O5S/c1-6-7-8-9-10-11-12-15(19-26(24)18(2,3)4)16(20(22)23)13-14-17(21)25-5/h15-16,19H,6-14H2,1-5H3/t15-,16?,26?/m1/s1
InChIKey BKMJTQMYQCVPMG-SBOLLAQSSA-N
Mol Weight 392.6 g/mol
Molecular Formula C18H36N2O5S
Exact Mass 392.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aPiho68dRr
Name (4R*,5R,RS)-Methyl N-(tert-butanesulfinyl)-5-amino-4-nitrotridecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36N2O5S
InChI InChI=1S/C18H36N2O5S/c1-6-7-8-9-10-11-12-15(19-26(24)18(2,3)4)16(20(22)23)13-14-17(21)25-5/h15-16,19H,6-14H2,1-5H3/t15-,16?,26?/m1/s1
InChIKey BKMJTQMYQCVPMG-SBOLLAQSSA-N
Literature Reference DOI 10.3987/COM-14-S(K)103
Molecular Weight 392.555 g/mol
SMILES N([C@@](C(CCC(OC)=O)[N+](=O)[O-])(CCCCCCCC)[H])[S@](=O)C(C)(C)C
SPLASH splash10-0a59-9000000000-861c4bfbfb33beb6c82c
Source of Spectrum H1-90-1427-9ca
Synonyms (5R)-methyl 5-((R)-1,1-dimethylethylsulfinamido)-4-nitrotridecanoate
Wiley ID 1755502