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2-(3-Nitro-4-propoxy-benzylsulfanyl)-4,5-dihydro-1H-imidazole

View entire compound with spectra: 1 MS (GC)

2-(3-Nitro-4-propoxy-benzylsulfanyl)-4,5-dihydro-1H-imidazole
SpectraBase Compound ID 5t2oQAQLxKz
InChI InChI=1S/C13H17N3O3S/c1-2-7-19-12-4-3-10(8-11(12)16(17)18)9-20-13-14-5-6-15-13/h3-4,8H,2,5-7,9H2,1H3,(H,14,15)
InChIKey KMNDFMMYEPEZNX-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C13H17N3O3S
Exact Mass 295.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeeRVA0oEhm
Name 2-(3-Nitro-4-propoxy-benzylsulfanyl)-4,5-dihydro-1H-imidazole
Alternate Name(s) 2-[(3-nitro-4-propoxy-benzyl)thio]-2-imidazoline 2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole 2-[(3-nitro-4-propoxyphenyl)methylthio]-4,5-dihydro-1H-imidazole
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Formula C13H17N3O3S
InChI InChI=1S/C13H17N3O3S/c1-2-7-19-12-4-3-10(8-11(12)16(17)18)9-20-13-14-5-6-15-13/h3-4,8H,2,5-7,9H2,1H3,(H,14,15)
InChIKey KMNDFMMYEPEZNX-UHFFFAOYSA-N
Molecular Weight 295.357 g/mol
SMILES N1CCN=C1SCc1cc(c(cc1)OCCC)N(=O)=O
SPLASH splash10-0udm-9660000000-413df7aa3b12082df0a7
Wiley ID 1456472