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5-Benzoyl-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3QeLZxxliVs
InChI InChI=1S/C18H20N4O3S/c1-2-25-17(24)13-16-22(21-19-13)20-18(10-6-7-11-18)15(26-16)14(23)12-8-4-3-5-9-12/h3-5,8-9,15,20H,2,6-7,10-11H2,1H3
InChIKey LRWOSPGMDGVWQH-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C18H20N4O3S
Exact Mass 372.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmGhBPBJ9iX
Name 5-Benzoyl-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester
Appearance Beige powder
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Formula C18H20N4O3S
InChI InChI=1S/C18H20N4O3S/c1-2-25-17(24)13-16-22(21-19-13)20-18(10-6-7-11-18)15(26-16)14(23)12-8-4-3-5-9-12/h3-5,8-9,15,20H,2,6-7,10-11H2,1H3
InChIKey LRWOSPGMDGVWQH-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 372.443 g/mol
SMILES N1[n]2nnc(c2SC(C11CCCC1)C(c1ccccc1)=O)C(=O)OCC
SPLASH splash10-0a6r-8901000000-4ebf99562a423523a04a
Source of Spectrum Y-54-144-9a
Wiley ID 1877785