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Ethyl 1-(2-formylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 3A3XUn5Bp7V
InChI InChI=1S/C13H13N3O3/c1-3-19-13(18)12-9(2)16(15-14-12)11-7-5-4-6-10(11)8-17/h4-8H,3H2,1-2H3
InChIKey RWDAAOHBJICCPH-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPAZHTM7fTX
Name Ethyl 1-(2-formylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Appearance Yellowish oil
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Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-3-19-13(18)12-9(2)16(15-14-12)11-7-5-4-6-10(11)8-17/h4-8H,3H2,1-2H3
InChIKey RWDAAOHBJICCPH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000887
Molecular Weight 259.265 g/mol
Reported Formula C13H13N3O3
SMILES c1(nn[n](c1C)-c1c(cccc1)C=O)C(=O)OCC
SPLASH splash10-0a4i-0900000000-0f73667d3422cedb07fe
Source of Spectrum ASC-362-5053-4a
Wiley ID 1855654