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3-(1,2,4-triazol-4-ylmethyl)-9-xanthenone
SpectraBase Compound ID GPmAqBgIfbk
InChI InChI=1S/C16H11N3O2/c20-16-12-3-1-2-4-14(12)21-15-7-11(5-6-13(15)16)8-19-9-17-18-10-19/h1-7,9-10H,8H2
InChIKey PGLQFPCEEUGERF-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C16H11N3O2
Exact Mass 277.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RjVZQvEnUN
Name 3-(1,2,4-triazol-4-ylmethyl)-9-xanthenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3O2
InChI InChI=1S/C16H11N3O2/c20-16-12-3-1-2-4-14(12)21-15-7-11(5-6-13(15)16)8-19-9-17-18-10-19/h1-7,9-10H,8H2
InChIKey PGLQFPCEEUGERF-UHFFFAOYSA-N
Molecular Weight 277.283 g/mol
SMILES C1(c2ccc(cc2Oc2ccccc12)C[n]1cnnc1)=O
SPLASH splash10-004i-0190000000-0cec20635fe579f8eca6
Source of Spectrum F2-44-679-22
Synonyms 3-(1,2,4-triazol-4-ylmethyl)xanthen-9-one 3-(1,2,4-triazol-4-ylmethyl)xanthone
Wiley ID 1639066