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(+/-)-1-Benzylbutyl Hydrogen Phthalate
SpectraBase Compound ID EErooVY7mvU
InChI InChI=1S/C19H20O4/c1-2-8-15(13-14-9-4-3-5-10-14)23-19(22)17-12-7-6-11-16(17)18(20)21/h3-7,9-12,15H,2,8,13H2,1H3,(H,20,21)
InChIKey AGELPNOBCCCDMO-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pYMnz2hGWM
Name (+/-)-1-Benzylbutyl Hydrogen Phthalate
Alternate Name(s) 2-(((1-phenylpentan-2-yl)oxy)carbonyl)benzoic acid
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Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-2-8-15(13-14-9-4-3-5-10-14)23-19(22)17-12-7-6-11-16(17)18(20)21/h3-7,9-12,15H,2,8,13H2,1H3,(H,20,21)
InChIKey AGELPNOBCCCDMO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200890217
Molecular Weight 312.365 g/mol
SMILES OC(c1c(C(=O)OC(CCC)Cc2ccccc2)cccc1)=O
SPLASH splash10-0002-3900000000-4d1228e85653fd48d020
Source of Spectrum CBD-5-2634-10
Wiley ID 1790359