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7-(1,2,4-triazol-4-ylmethyl)-1-benzopyran-4-one

View entire compound with spectra: 1 MS (GC)

7-(1,2,4-triazol-4-ylmethyl)-1-benzopyran-4-one
SpectraBase Compound ID GcziyDEBOEw
InChI InChI=1S/C12H9N3O2/c16-11-3-4-17-12-5-9(1-2-10(11)12)6-15-7-13-14-8-15/h1-5,7-8H,6H2
InChIKey QNCWBRMMGXVBEU-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C12H9N3O2
Exact Mass 227.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zEKHHRFVHS
Name 7-(1,2,4-triazol-4-ylmethyl)-1-benzopyran-4-one
Alternate Name(s) 7-(1,2,4-triazol-4-ylmethyl)chromen-4-one 7-(1,2,4-triazol-4-ylmethyl)chromone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2
InChI InChI=1S/C12H9N3O2/c16-11-3-4-17-12-5-9(1-2-10(11)12)6-15-7-13-14-8-15/h1-5,7-8H,6H2
InChIKey QNCWBRMMGXVBEU-UHFFFAOYSA-N
Molecular Weight 227.223 g/mol
SMILES c12c(OC=CC2=O)cc(C[n]2cnnc2)cc1
SPLASH splash10-004i-0490000000-52131c659abb5b815735
Source of Spectrum F2-44-679-22
Wiley ID 1639067