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(3R)-3-Isobutyl-1-[1-(methoxycarbonyl)-isopropyl]-3-(2-nitrobenzene sulfonylamino) azetidin-2-one
SpectraBase Compound ID BhCvTS8xfSz
InChI InChI=1S/C18H25N3O7S/c1-12(2)10-18(11-20(15(18)22)17(3,4)16(23)28-5)19-29(26,27)14-9-7-6-8-13(14)21(24)25/h6-9,12,19H,10-11H2,1-5H3/t18-/m1/s1
InChIKey PMMSQFUQGBSCAA-GOSISDBHSA-N
Mol Weight 427.47 g/mol
Molecular Formula C18H25N3O7S
Exact Mass 427.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0w4M9oxqcr
Name (3R)-3-Isobutyl-1-[1-(methoxycarbonyl)-isopropyl]-3-(2-nitrobenzene sulfonylamino) azetidin-2-one
Alternate Name(s) (R)-methyl 2-(3-isobutyl-3-(2-nitrophenylsulfonamido)-2-oxoazetidin-1-yl)-2-methylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3O7S
InChI InChI=1S/C18H25N3O7S/c1-12(2)10-18(11-20(15(18)22)17(3,4)16(23)28-5)19-29(26,27)14-9-7-6-8-13(14)21(24)25/h6-9,12,19H,10-11H2,1-5H3/t18-/m1/s1
InChIKey PMMSQFUQGBSCAA-GOSISDBHSA-N
Literature Reference DOI 10.1021/ol0626241
Molecular Weight 427.472 g/mol
SMILES N([C@@]1(CN(C1=O)C(C)(C)C(OC)=O)CC(C)C)S(c1c(cccc1)[N+](=O)[O-])(=O)=O
SPLASH splash10-0ac1-9610000000-95378d357af5c0085e5e
Source of Spectrum A1-9-101/SMP21-33d
Wiley ID 1757723