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1-carbethoxy-5,5-dimethyl-3-phenyl-delta2-1,2,4-triazoline
SpectraBase Compound ID 8ZDl4tHnyvz
InChI InChI=1S/C13H17N3O2/c1-4-18-12(17)16-13(2,3)14-11(15-16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKey PDLNTXNELPUALH-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ovysEBqwnk
Name 1-carbethoxy-5,5-dimethyl-3-phenyl-delta2-1,2,4-triazoline
Alternate Name(s) Ethyl 5,5-dimethyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-4-18-12(17)16-13(2,3)14-11(15-16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKey PDLNTXNELPUALH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19740570514
Molecular Weight 247.298 g/mol
SMILES N1C(N(N=C1c1ccccc1)C(OCC)=O)(C)C
SPLASH splash10-03di-1920000000-99065f2b061ae2b6f014
Source of Spectrum H-57-1389-6a
Wiley ID 1797217