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1-(1H-Isochromen-3-yl)but-2-en-1-one
SpectraBase Compound ID HTfqeMqOTIc
InChI InChI=1S/C13H12O2/c1-2-5-12(14)13-8-10-6-3-4-7-11(10)9-15-13/h2-8H,9H2,1H3/b5-2+
InChIKey KWWUKWRQEXEXGN-GORDUTHDSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVKKLw62SGM
Name 1-(1H-Isochromen-3-yl)but-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-2-5-12(14)13-8-10-6-3-4-7-11(10)9-15-13/h2-8H,9H2,1H3/b5-2+
InChIKey KWWUKWRQEXEXGN-GORDUTHDSA-N
Molecular Weight 200.237 g/mol
SMILES C(\C=C\C)(=O)C=1OCc2c(C1)cccc2
SPLASH splash10-014i-9220000000-ffbf824db2bf8a4f93f0
Source of Spectrum KC-61-3433-5
Synonyms (2E)-1-(1H-2-benzopyran-3-yl)-2-buten-1-one
Wiley ID 1628505