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1-Benzyl-5-(4-hydroxyphenoxy)triazole-4-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzyl-5-(4-hydroxyphenoxy)triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID EqvHoPt45sS
InChI InChI=1S/C18H17N3O4/c1-2-24-18(23)16-17(25-15-10-8-14(22)9-11-15)21(20-19-16)12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3
InChIKey STWPHENOZCGWBL-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAKi7hJT4zG
Name 1-Benzyl-5-(4-hydroxyphenoxy)triazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.121906035 u
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-2-24-18(23)16-17(25-15-10-8-14(22)9-11-15)21(20-19-16)12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3
InChIKey STWPHENOZCGWBL-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES C1(=C(N=NN1CC1=CC=CC=C1)C(=O)OCC)OC=1C=CC(=CC1)O