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3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
SpectraBase Compound ID 2AeOFshfM9V
InChI InChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3
InChIKey BSWKWHNLWRLQLZ-UHFFFAOYSA-N
Mol Weight 253.26 g/mol
Molecular Formula C15H11NO3
Exact Mass 253.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlm6dTipyFc
Name MFCD00191705
CAS Registry Number 67867-47-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 253.073893215 u
Formula C15H11NO3
InChI InChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3
InChIKey BSWKWHNLWRLQLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 253.257 g/mol
Nominal Mass 253 u
Quality 966
Retention Index 1982
SMILES C12=C(C(C=3C(O2)=CC=CC3)=O)C=C(C(=N1)C)C(=O)C
SPLASH splash10-000i-1390000000-e8f4cc0eea0af53bf382
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one 5H[1]Benzopyrano[2,3-b]pyridin-5-one,3-acetyl-2-methyl
Technique GC/MS
Wiley ID DD2024_027612