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3-Ethyl-7-methoxy-2-allylsulfanyl-3H-4,5-dihydro-1,3-benzodiazepine-4-thione
SpectraBase Compound ID DmaEqpCCp30
InChI InChI=1S/C15H18N2OS2/c1-4-8-20-15-16-13-7-6-12(18-3)9-11(13)10-14(19)17(15)5-2/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKey HPYLZWYVZQXPTA-UHFFFAOYSA-N
Mol Weight 306.44 g/mol
Molecular Formula C15H18N2OS2
Exact Mass 306.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JT3Bsoiphw4
Name 3-Ethyl-7-methoxy-2-allylsulfanyl-3H-4,5-dihydro-1,3-benzodiazepine-4-thione
Comments Less than 3 mono-isotopic peaks
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Formula C15H18N2OS2
InChI InChI=1S/C15H18N2OS2/c1-4-8-20-15-16-13-7-6-12(18-3)9-11(13)10-14(19)17(15)5-2/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKey HPYLZWYVZQXPTA-UHFFFAOYSA-N
Molecular Weight 306.442 g/mol
SMILES C=1(N(C(Cc2cc(ccc2N1)OC)=S)CC)SCC=C
SPLASH splash10-014i-0093000000-8112528ca6f373c07007
Source of Spectrum F4-42-292-8f
Synonyms 3-ethyl-7-methoxy-2-(prop-2-enylthio)-5H-1,3-benzodiazepine-4-thione 2-allylsulfanyl-3-ethyl-7-methoxy-5H-1,3-benzodiazepine-4-thione 3-ethyl-7-methoxy-2-prop-2-enylsulfanyl-5H-1,3-benzodiazepine-4-thione
Wiley ID 1673553