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3-Hydroxymethyl-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one

View entire compound with spectra: 1 MS (GC)

3-Hydroxymethyl-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one
SpectraBase Compound ID 1qw1GZQDOKT
InChI InChI=1S/C12H11N3O3/c16-5-12(15-7-13-14-8-15)6-18-10-4-2-1-3-9(10)11(12)17/h1-4,7-8,16H,5-6H2
InChIKey CVAORXQSSMNJTL-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CSWacmZ3Dg
Name 3-Hydroxymethyl-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c16-5-12(15-7-13-14-8-15)6-18-10-4-2-1-3-9(10)11(12)17/h1-4,7-8,16H,5-6H2
InChIKey CVAORXQSSMNJTL-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES OCC1(C(c2ccccc2OC1)=O)[n]1cnnc1
SPLASH splash10-0006-9140000000-46082249a172df149874
Source of Spectrum O1-55-2068-15
Synonyms 3-(hydroxymethyl)-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydro-4H-chromen-4-one
Wiley ID 1591346