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3-Undecylisocoumarin

View entire compound with spectra: 2 MS (GC)

3-Undecylisocoumarin
SpectraBase Compound ID 7hwW7DUsJFT
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16-17-13-11-12-15-19(17)20(21)22-18/h11-13,15-16H,2-10,14H2,1H3
InChIKey GHZKJUQUQMLESW-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pwRnX3aPH1
Name 3-Undecylisocoumarin
Alternate Name(s) 3-Undecyl-2-benzopyran-1-one 3-Undecylisochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16-17-13-11-12-15-19(17)20(21)22-18/h11-13,15-16H,2-10,14H2,1H3
InChIKey GHZKJUQUQMLESW-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
SMILES C1(=O)OC(=Cc2ccccc12)CCCCCCCCCCC
SPLASH splash10-0gb9-2922000000-22bdca7044232f3fd77d
Source of Spectrum F7-20-71-1
Wiley ID 1556938