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(1S,9R)-4-Chlorobenzoic acid 9-(2,2-Dimethyl[1,3]dioxolan-4-yl)-1-ethylnonyl ester
SpectraBase Compound ID 1xsYOImHUX9
InChI InChI=1S/C23H35ClO4/c1-4-20(27-22(25)18-13-15-19(24)16-14-18)11-9-7-5-6-8-10-12-21-17-26-23(2,3)28-21/h13-16,20-21H,4-12,17H2,1-3H3/t20-,21+/m0/s1
InChIKey CUZTWHAMUSODQQ-LEWJYISDSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26ubucUKB0r
Name (1S,9R)-4-Chlorobenzoic acid 9-(2,2-Dimethyl[1,3]dioxolan-4-yl)-1-ethylnonyl ester
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Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-4-20(27-22(25)18-13-15-19(24)16-14-18)11-9-7-5-6-8-10-12-21-17-26-23(2,3)28-21/h13-16,20-21H,4-12,17H2,1-3H3/t20-,21+/m0/s1
InChIKey CUZTWHAMUSODQQ-LEWJYISDSA-N
Molecular Weight 410.982 g/mol
SMILES C(O[C@@](CC)(CCCCCCCC[C@]1(OC(C)(C)OC1)[H])[H])(c1ccc(cc1)Cl)=O
SPLASH splash10-0005-9406000000-5dab5256b4cceab62a74
Source of Spectrum KD-13-791-55
Synonyms 4-Chlorobenzoic acid[(1S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethyl-nonyl]ester 4-Chlorobenzoic acid[(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl]ester [(1S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethyl-nonyl]4-chlorobenzoate [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl]4-chloranylbenzoate [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl]4-chlorobenzoate 4-Chlorobenzoic acid [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] ester [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] 4-chlorobenzoate [(1S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethyl-nonyl] 4-chlorobenzoate [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] 4-chloranylbenzoate
Wiley ID 1635162