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3-s,4-dipropargyl-5-phenyl-[1,2,4]-triazole
SpectraBase Compound ID 1i3m3yAAdFO
InChI InChI=1S/C14H11N3S/c1-3-10-17-13(12-8-6-5-7-9-12)15-16-14(17)18-11-4-2/h1-2,5-9H,10-11H2
InChIKey JRWIYKZMEAUPST-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C14H11N3S
Exact Mass 253.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cZW9bE1u1l
Name 3-s,4-dipropargyl-5-phenyl-[1,2,4]-triazole
Alternate Name(s) 3-Phenyl-4-(2-propynyl)-5-(2-propynylsulfanyl)-4H-1,2,4-triazole 5-Phenyl-4-(2-propynyl)-4H-1,2,4-triazol-3-yl 2-propynyl sulfide
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Formula C14H11N3S
InChI InChI=1S/C14H11N3S/c1-3-10-17-13(12-8-6-5-7-9-12)15-16-14(17)18-11-4-2/h1-2,5-9H,10-11H2
InChIKey JRWIYKZMEAUPST-UHFFFAOYSA-N
Molecular Weight 253.323 g/mol
SMILES c1([n](c(nn1)SCC#C)CC#C)-c1ccccc1
SPLASH splash10-0ufr-9810000000-9c6f2edd3a6e82c1d2b1
Source of Spectrum O-12-311-7
Wiley ID 1256770