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3-Amylcoumaran-2-one

View entire compound with spectra: 1 MS (GC)

3-Amylcoumaran-2-one
SpectraBase Compound ID 6dhUrVFoesz
InChI InChI=1S/C13H16O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)15-13(11)14/h5-7,9,11H,2-4,8H2,1H3
InChIKey BJBPQQMDNJBRQM-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 13RGxJcd16
Name 3-Amylcoumaran-2-one
Alternate Name(s) 3-Pentyl-3H-1-benzofuran-2-one 3-Pentyl-3H-benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)15-13(11)14/h5-7,9,11H,2-4,8H2,1H3
InChIKey BJBPQQMDNJBRQM-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(Oc2ccccc2C1CCCCC)=O
SPLASH splash10-0kh9-2910000000-ff38524730c454a44c62
Source of Spectrum KC-0-482-2
Wiley ID 824173