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2-[2-(4-chlorophenyl)prop-1-enylidene]decanoic acid
SpectraBase Compound ID 9SRaEgrzwy
InChI InChI=1S/C19H25ClO2/c1-3-4-5-6-7-8-9-17(19(21)22)14-15(2)16-10-12-18(20)13-11-16/h10-13H,3-9H2,1-2H3,(H,21,22)
InChIKey QBAFFONEOLORGV-UHFFFAOYSA-N
Mol Weight 320.86 g/mol
Molecular Formula C19H25ClO2
Exact Mass 320.154308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRG4mjY1gT3
Name 2-[2-(4-chlorophenyl)prop-1-enylidene]decanoic acid
Appearance solid
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Formula C19H25ClO2
InChI InChI=1S/C19H25ClO2/c1-3-4-5-6-7-8-9-17(19(21)22)14-15(2)16-10-12-18(20)13-11-16/h10-13H,3-9H2,1-2H3,(H,21,22)
InChIKey QBAFFONEOLORGV-UHFFFAOYSA-N
Ionization Type EI
Optical Rotation [a]D27 = +30.1 (c = 1.27, CHCl3)
SMILES OC(C(=C=C(c1ccc(cc1)Cl)C)CCCCCCCC)=O
SPLASH splash10-004i-0900000000-2c711173a585e879f436
Sample Comments 94% ee
Source of Spectrum CN111302928A
Wiley ID 1877158