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3,4-Diethyl-1H-benzo[h]isochromen-1-one
SpectraBase Compound ID CfhUERWaFiN
InChI InChI=1S/C17H16O2/c1-3-12-14-10-9-11-7-5-6-8-13(11)16(14)17(18)19-15(12)4-2/h5-10H,3-4H2,1-2H3
InChIKey KJVJVQNCRLOBFS-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HmbkcQNcOE
Name 3,4-Diethyl-1H-benzo[h]isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-3-12-14-10-9-11-7-5-6-8-13(11)16(14)17(18)19-15(12)4-2/h5-10H,3-4H2,1-2H3
InChIKey KJVJVQNCRLOBFS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 252.313 g/mol
SMILES c1c2c(c3c(c1)cccc3)C(OC(=C2CC)CC)=O
SPLASH splash10-0udi-0690000000-2f699b9fd0cba342d522
Source of Spectrum ACI-54-5513/SMS18-3ib
Wiley ID 1761171