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3-Butyl-3,4-dihydro-1H-2-benzopyran-1-one
SpectraBase Compound ID 5j9q1Pw9fpl
InChI InChI=1S/C13H16O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8,11H,2-3,7,9H2,1H3
InChIKey JYCMTCHIFJZRDA-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQb4YfJRKNJ
Name 3-Butyl-3,4-dihydro-1H-2-benzopyran-1-one
Alternate Name(s) 3-Butylisochroman-1-one 3-Butyl-3,4-dihydroisochromen-1-one (dl)-3-butyl-3,4-dihydroisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8,11H,2-3,7,9H2,1H3
InChIKey JYCMTCHIFJZRDA-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(=O)OC(Cc2ccccc12)CCCC
SPLASH splash10-014l-4910000000-f67bf6d94a42a1d53fcb
Source of Spectrum Y1-42-1526-5
Wiley ID 1565203