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2-[(4-oxidanylidene-1H-imidazo[4,5-d][1,2,3]triazin-7-yl)methoxy]ethyl benzoate
SpectraBase Compound ID Ilvyg0pMTlQ
InChI InChI=1S/C14H13N5O4/c20-13-11-12(16-18-17-13)19(8-15-11)9-22-6-7-23-14(21)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17,20)
InChIKey JFZANYPQFRBILS-UHFFFAOYSA-N
Mol Weight 315.29 g/mol
Molecular Formula C14H13N5O4
Exact Mass 315.096754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xXfjKm3x5I
Name 2-[(4-oxidanylidene-1H-imidazo[4,5-d][1,2,3]triazin-7-yl)methoxy]ethyl benzoate
CAS Registry Number 82145-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N5O4
InChI InChI=1S/C14H13N5O4/c20-13-11-12(16-18-17-13)19(8-15-11)9-22-6-7-23-14(21)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17,20)
InChIKey JFZANYPQFRBILS-UHFFFAOYSA-N
Molecular Weight 315.289 g/mol
SMILES N1N=NC(c2c1[n](cn2)COCCOC(=O)c1ccccc1)=O
SPLASH splash10-0a6r-3900000000-2f531c6b8471a1eaa424
Source of Spectrum Y-19-39-0
Synonyms 2-[(4-oxo-1H-imidazo[4,5-d]triazin-7-yl)methoxy]ethyl benzoate benzoic acid 2-[(4-keto-1H-imidazo[4,5-d]triazin-7-yl)methoxy]ethyl ester benzoic acid 2-[(4-oxo-1H-imidazo[4,5-d]triazin-7-yl)methoxy]ethyl ester
Wiley ID 1315829