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2-[bis(2-chloroethyl)amino]ethyl 3-methyl-2-thienyl ketone, hydrochloride
SpectraBase Compound ID GhudkACW3Hy
InChI InChI=1S/C12H17Cl2NOS.ClH/c1-10-3-9-17-12(10)11(16)2-6-15(7-4-13)8-5-14;/h3,9H,2,4-8H2,1H3;1H
InChIKey MNJTXVQKUNRBHE-UHFFFAOYSA-N
Mol Weight 330.7 g/mol
Molecular Formula C12H18Cl3NOS
Exact Mass 329.017468 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UC3e7KzVuj
Name 2-[bis(2-chloroethyl)amino]ethyl 3-methyl-2-thienyl ketone, hydrochloride
Source of Sample W. Werner, Deutsche Akademie Wissenschaften, Berlin, Germany
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Formula C12H18Cl3NOS
InChI InChI=1S/C12H17Cl2NOS.ClH/c1-10-3-9-17-12(10)11(16)2-6-15(7-4-13)8-5-14;/h3,9H,2,4-8H2,1H3;1H
InChIKey MNJTXVQKUNRBHE-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 4868M
Solvent DMSO-d6
Synonyms KETONE, 2-/BIS/2-CHLOROETHYL/- AMINO/ETHYL 3-METHYL-2-THIENYL, HYDRO- CHLORIDE