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3-PENTYL-ISOCHROMEN-1-ONE
SpectraBase Compound ID LXyG0k5wBrz
InChI InChI=1S/C14H16O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9-10H,2-4,8H2,1H3
InChIKey NRWIDUQJBDCLFR-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5N9hDUfW5Jg
Name 3-Amylisocoumarin
Alternate Name(s) 3-Pentyl-2-benzopyran-1-one 3-Pentylisochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9-10H,2-4,8H2,1H3
InChIKey NRWIDUQJBDCLFR-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES C1(=O)OC(=Cc2ccccc12)CCCCC
SPLASH splash10-014i-2940000000-3e740562d844644bb4d9
Source of Spectrum F7-20-71-1
Wiley ID 1556939