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2-Amino-5a-ethyl-3,4,5a,6,7,8a-hexahydro-5H-thieno[4,3,2-d,e]isoquinoline-3,5-dione
SpectraBase Compound ID 1MYkWDcSBhR
InChI InChI=1S/C12H14N2O2S/c1-2-12-5-3-4-6-8(12)7(9(13)17-6)10(15)14-11(12)16/h2-5,13H2,1H3,(H,14,15,16)
InChIKey LAWJBPHYPQMHJB-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Q4ilv7JwIX
Name 2-Amino-5a-ethyl-3,4,5a,6,7,8a-hexahydro-5H-thieno[4,3,2-d,e]isoquinoline-3,5-dione
Comments Less than 3 mono-isotopic peaks
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Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-2-12-5-3-4-6-8(12)7(9(13)17-6)10(15)14-11(12)16/h2-5,13H2,1H3,(H,14,15,16)
InChIKey LAWJBPHYPQMHJB-UHFFFAOYSA-N
Molecular Weight 250.316 g/mol
SMILES N1C(C2(CCCc3c2c(c(s3)N)C1=O)CC)=O
SPLASH splash10-004i-0940000000-51f568b131bd828ac8f8
Source of Spectrum H1-50-1103-8
Synonyms 2-amino-5a-ethyl-5a,6,7,8-tetrahydro-3H-thieno[4,3,2-de]isoquinoline-3,5(4H)-dione
Wiley ID 816937