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1,3-bis(methylsulfanyl)-5,6,7,8-tetrahydroisoquinoline
SpectraBase Compound ID 3IGzyY2lRXV
InChI InChI=1S/C11H15NS2/c1-13-10-7-8-5-3-4-6-9(8)11(12-10)14-2/h7H,3-6H2,1-2H3
InChIKey KFYZXONMYFLOEG-UHFFFAOYSA-N
Mol Weight 225.37 g/mol
Molecular Formula C11H15NS2
Exact Mass 225.064592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvkuJUrJumY
Name 1,3-bis(methylsulfanyl)-5,6,7,8-tetrahydroisoquinoline
CAS Registry Number 122940-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NS2
InChI InChI=1S/C11H15NS2/c1-13-10-7-8-5-3-4-6-9(8)11(12-10)14-2/h7H,3-6H2,1-2H3
InChIKey KFYZXONMYFLOEG-UHFFFAOYSA-N
Molecular Weight 225.368 g/mol
SMILES c1(nc(cc2CCCCc12)SC)SC
SPLASH splash10-002f-0890000000-cce9092f558049eb7928
Source of Spectrum F-46-2569-3
Synonyms 1,3-bis(methylthio)-5,6,7,8-tetrahydroisoquinoline
Wiley ID 1226317