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3-Chloromethyl-2-[(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-pyrazinyl]-methylthiophene
SpectraBase Compound ID A4D9W1dQZL
InChI InChI=1S/C15H21ClN2O2S/c1-9(2)13-15(20-4)17-11(14(18-13)19-3)7-12-10(8-16)5-6-21-12/h5-6,9,11,13H,7-8H2,1-4H3/t11-,13+/m0/s1
InChIKey DGEXCIWNWRIGNM-WCQYABFASA-N
Mol Weight 328.86 g/mol
Molecular Formula C15H21ClN2O2S
Exact Mass 328.101227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMaOZ1zdHSR
Name 3-Chloromethyl-2-[(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-pyrazinyl]-methylthiophene
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Formula C15H21ClN2O2S
InChI InChI=1S/C15H21ClN2O2S/c1-9(2)13-15(20-4)17-11(14(18-13)19-3)7-12-10(8-16)5-6-21-12/h5-6,9,11,13H,7-8H2,1-4H3/t11-,13+/m0/s1
InChIKey DGEXCIWNWRIGNM-WCQYABFASA-N
Molecular Weight 328.858 g/mol
SMILES C1(=N[C@@](C(=N[C@]1(Cc1c(ccs1)CCl)[H])OC)(C(C)C)[H])OC
SPLASH splash10-000x-0900000000-65cd0afa3d5db8ea3070
Source of Spectrum SB-51-399-14
Synonyms (2S,5R)-2-{[3-(chloromethyl)-2-thienyl]methyl}-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine
Wiley ID 1325993