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1-Methoxy-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-2-propanol
SpectraBase Compound ID ItJTVzVhyrr
InChI InChI=1S/C8H13N3O4S/c1-10-5-9-7(11(13)14)8(10)16-4-6(12)3-15-2/h5-6,12H,3-4H2,1-2H3
InChIKey BRBQISRTPPQZGK-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C8H13N3O4S
Exact Mass 247.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s74cMqGi3k
Name 1-Methoxy-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-2-propanol
CAS Registry Number 115906-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3O4S
InChI InChI=1S/C8H13N3O4S/c1-10-5-9-7(11(13)14)8(10)16-4-6(12)3-15-2/h5-6,12H,3-4H2,1-2H3
InChIKey BRBQISRTPPQZGK-UHFFFAOYSA-N
Molecular Weight 247.269 g/mol
SMILES OC(CSc1c(nc[n]1C)N(=O)=O)COC
SPLASH splash10-0005-9200000000-2de35c6cbf307ae76d06
Source of Spectrum AD-0-2532-0
Synonyms 1-Methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-2-propanol 1-Methoxy-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-propan-2-ol 1-Methoxy-3-[(3-methyl-5-nitro-4-imidazolyl)thio]-2-propanol 1-Methoxy-3-[(3-methyl-5-nitro-imidazol-4-yl)thio]propan-2-ol 2-Propanol, 1-methoxy-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- Propan-2-ol, 1-methoxy-3-(1-methyl-4-nitro-5-imidazolylthio)- BRN 5554904
Wiley ID 1430817