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5-Mercapto-1H-[1,2,3]triazole-4-carboxylic acid cyclohexyl ester
SpectraBase Compound ID vgjwBY2agE
InChI InChI=1S/C9H13N3O2S/c13-9(7-8(15)11-12-10-7)14-6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,11,12,15)
InChIKey YIDVLLAHPGSNSC-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGYbC1fdGp
Name 5-Mercapto-1H-[1,2,3]triazole-4-carboxylic acid cyclohexyl ester
Alternate Name(s) 5-sulfanylidene-1,2-dihydrotriazole-4-carboxylic acid cyclohexyl ester 5-Thioxo-1,2-dihydrotriazole-4-carboxylic acid cyclohexyl ester cyclohexyl 5-sulfanylidene-1,2-dihydro-1,2,3-triazole-4-carboxylate cyclohexyl 5-sulfanylidene-1,2-dihydrotriazole-4-carboxylate cyclohexyl 5-thioxo-1,2-dihydrotriazole-4-carboxylate
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Formula C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c13-9(7-8(15)11-12-10-7)14-6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,11,12,15)
InChIKey YIDVLLAHPGSNSC-UHFFFAOYSA-N
Molecular Weight 227.282 g/mol
SMILES [nH]1c(c(nn1)C(OC1CCCCC1)=O)S
SPLASH splash10-004j-3910000000-666012b0474feb7108d9
Wiley ID 1465828