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(E)-Methyl 4-(1-((3-tosylureido)methyl)cyclohexyl)but-2-enoate
SpectraBase Compound ID JIOGHKmbGqK
InChI InChI=1S/C20H28N2O5S/c1-16-8-10-17(11-9-16)28(25,26)22-19(24)21-15-20(12-4-3-5-13-20)14-6-7-18(23)27-2/h6-11H,3-5,12-15H2,1-2H3,(H2,21,22,24)/b7-6+
InChIKey RVIAZXZPVKBTIY-VOTSOKGWSA-N
Mol Weight 408.51 g/mol
Molecular Formula C20H28N2O5S
Exact Mass 408.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVppNRtAHtq
Name (E)-Methyl 4-(1-((3-tosylureido)methyl)cyclohexyl)but-2-enoate
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Formula C20H28N2O5S
InChI InChI=1S/C20H28N2O5S/c1-16-8-10-17(11-9-16)28(25,26)22-19(24)21-15-20(12-4-3-5-13-20)14-6-7-18(23)27-2/h6-11H,3-5,12-15H2,1-2H3,(H2,21,22,24)/b7-6+
InChIKey RVIAZXZPVKBTIY-VOTSOKGWSA-N
Literature Reference DOI 10.1002/asia.200800148
Molecular Weight 408.513 g/mol
SMILES N(C(NS(=O)(c1ccc(cc1)C)=O)=O)CC1(CCCCC1)C\C=C\C(OC)=O
SPLASH splash10-0002-9410000000-3cbdc77749292527669c
Source of Spectrum CAJ-3-1248/SM3-2b
Wiley ID 1775066