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(+)-(S)-N-11-Dimethylethoxyundecyl-(N-3,5-dinitrobenzoyl)-3-amino-3-caprolactam
SpectraBase Compound ID 5bPAOhxGy9E
InChI InChI=1S/C28H46N4O7Si/c1-4-39-40(2,3)19-15-11-9-7-5-6-8-10-13-17-30-18-14-12-16-26(28(30)34)29-27(33)23-20-24(31(35)36)22-25(21-23)32(37)38/h20-22,26H,4-19H2,1-3H3,(H,29,33)/t26-/m0/s1
InChIKey VAKDOJUOQHMYRJ-SANMLTNESA-N
Mol Weight 578.8 g/mol
Molecular Formula C28H46N4O7Si
Exact Mass 578.313576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wo7YanJdD3
Name (+)-(S)-N-11-Dimethylethoxyundecyl-(N-3,5-dinitrobenzoyl)-3-amino-3-caprolactam
Alternate Name(s) N-{(S)-1-[11-(Ethoxy-dimethyl-silanyl)-undecyl]-2-oxo-azepan-3-yl}-3,5-dinitro-benzamide
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Formula C28H46N4O7Si
InChI InChI=1S/C28H46N4O7Si/c1-4-39-40(2,3)19-15-11-9-7-5-6-8-10-13-17-30-18-14-12-16-26(28(30)34)29-27(33)23-20-24(31(35)36)22-25(21-23)32(37)38/h20-22,26H,4-19H2,1-3H3,(H,29,33)/t26-/m0/s1
InChIKey VAKDOJUOQHMYRJ-SANMLTNESA-N
Molecular Weight 578.782 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)[C@@]1(C(N(CCCCCCCCCCC[Si](OCC)(C)C)CCCC1)=O)[H]
SPLASH splash10-0pdl-9501100000-fae15c29d1bb03c909e8
Source of Spectrum F-67-7146-3
Wiley ID 1687436