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[1-Methyl-2-(methylsulfinyl)-1H-imidazol-5-yl]methyl bis(2-chloroethyl)carbamate
SpectraBase Compound ID DMpnD86av6
InChI InChI=1S/C11H17Cl2N3O3S/c1-15-9(7-14-10(15)20(2)18)8-19-11(17)16(5-3-12)6-4-13/h7H,3-6,8H2,1-2H3
InChIKey WRGBCFJTYSPALZ-UHFFFAOYSA-N
Mol Weight 342.24 g/mol
Molecular Formula C11H17Cl2N3O3S
Exact Mass 341.036768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iPvvU0bb2r
Name [1-Methyl-2-(methylsulfinyl)-1H-imidazol-5-yl]methyl bis(2-chloroethyl)carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C11H17Cl2N3O3S
InChI InChI=1S/C11H17Cl2N3O3S/c1-15-9(7-14-10(15)20(2)18)8-19-11(17)16(5-3-12)6-4-13/h7H,3-6,8H2,1-2H3
InChIKey WRGBCFJTYSPALZ-UHFFFAOYSA-N
Molecular Weight 342.241 g/mol
SMILES c1([n](c(COC(N(CCCl)CCCl)=O)cn1)C)S(=O)C
SPLASH splash10-004i-0009000000-6e68d8429eac3da26abb
Source of Spectrum F-56-653-5
Synonyms (3-methyl-2-methylsulfinyl-imidazol-4-yl)methyl N,N-bis(2-chloroethyl)carbamate N,N-bis(2-chloroethyl)carbamic acid (3-methyl-2-methylsulfinyl-4-imidazolyl)methyl ester N,N-bis(2-chloroethyl)carbamic acid (3-methyl-2-methylsulfinyl-imidazol-4-yl)methyl ester
Wiley ID 855627