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2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID mFzoYe3796
InChI InChI=1S/C13H15N3O5S/c1-10-3-5-12(6-4-10)22(19,20)21-8-7-15-11(2)14-9-13(15)16(17)18/h3-6,9H,7-8H2,1-2H3
InChIKey WDOBEGMTPLDNHO-UHFFFAOYSA-N
Mol Weight 325.34 g/mol
Molecular Formula C13H15N3O5S
Exact Mass 325.073242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kti1G8CaTXy
Name 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C13H15N3O5S
InChI InChI=1S/C13H15N3O5S/c1-10-3-5-12(6-4-10)22(19,20)21-8-7-15-11(2)14-9-13(15)16(17)18/h3-6,9H,7-8H2,1-2H3
InChIKey WDOBEGMTPLDNHO-UHFFFAOYSA-N
Molecular Weight 325.339 g/mol
SMILES c1(ncc([n]1CCOS(=O)(=O)c1ccc(C)cc1)N(=O)=O)C
SPLASH splash10-00di-0901000000-0a8c7b4b0d0cc3a1a03b
Source of Spectrum F4-0-2699-7
Synonyms 4-methylbenzenesulfonic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester 4-methylbenzenesulfonic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester
Wiley ID 1618751