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3-Heptadecylisocoumarin
SpectraBase Compound ID KH8C2x6QE46
InChI InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h17-19,21-22H,2-16,20H2,1H3
InChIKey ONKJSCPTGGZOOZ-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb3b0eNOsXh
Name 3-Heptadecylisocoumarin
Alternate Name(s) 3-Heptadecyl-1H-isochromen-1-one 3-Heptadecyl-2-benzopyran-1-one 3-Heptadecylisochromen-1-one
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Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h17-19,21-22H,2-16,20H2,1H3
InChIKey ONKJSCPTGGZOOZ-UHFFFAOYSA-N
Molecular Weight 384.604 g/mol
SMILES c1ccc2C(OC(=Cc2c1)CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-014i-0902000000-dd53e0bc8ca40db5a6fd
Source of Spectrum Y1-46B-1324-3a
Wiley ID 1744507