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5-Phenyl-1,2,4-triazine-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

5-Phenyl-1,2,4-triazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID KHsikbD7PpH
InChI InChI=1S/C12H11N3O2/c1-2-17-12(16)11-14-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey HACDQHWPWBOTLR-UHFFFAOYSA-N
Mol Weight 229.24 g/mol
Molecular Formula C12H11N3O2
Exact Mass 229.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CdIhYsr258
Name 5-Phenyl-1,2,4-triazine-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate
CAS Registry Number 126421-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O2
InChI InChI=1S/C12H11N3O2/c1-2-17-12(16)11-14-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey HACDQHWPWBOTLR-UHFFFAOYSA-N
Molecular Weight 229.239 g/mol
SMILES c1(nc(-c2ccccc2)cnn1)C(=O)OCC
SPLASH splash10-0udi-0910000000-072183553c64e28b92e6
Source of Spectrum J-55-3266-3
Wiley ID 1230673