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Ethyl 2-[(4-methyl-5H-pyridazino[4,5-b]indol-1-yl)sulfanyl]acetate
SpectraBase Compound ID 4I4H35ANfLY
InChI InChI=1S/C15H15N3O2S/c1-3-20-12(19)8-21-15-13-10-6-4-5-7-11(10)16-14(13)9(2)17-18-15/h4-7,16H,3,8H2,1-2H3
InChIKey CSHDLDRXVILASJ-UHFFFAOYSA-N
Mol Weight 301.36 g/mol
Molecular Formula C15H15N3O2S
Exact Mass 301.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3L5DstjhIxi
Name Ethyl 2-[(4-methyl-5H-pyridazino[4,5-b]indol-1-yl)sulfanyl]acetate
Appearance Fine yellow crystals
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Formula C15H15N3O2S
InChI InChI=1S/C15H15N3O2S/c1-3-20-12(19)8-21-15-13-10-6-4-5-7-11(10)16-14(13)9(2)17-18-15/h4-7,16H,3,8H2,1-2H3
InChIKey CSHDLDRXVILASJ-UHFFFAOYSA-N
Instrument Name Shimadzu QP 5050A DI 50
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.e19
Molecular Weight 301.364 g/mol
Quality 389
SMILES N1C2=C(C3=C(N=NC(=C13)C)SCC(OCC)=O)C=CC=C2
SPLASH splash10-004i-2891000000-4e46e623f957a977895b
Source of Spectrum ARK-2003-208-18 (DOI: 10.3998/ark.5550190.0004.e19)
Wiley ID 1899825