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Phthalic acid, cyclohexyl neopentyl ester
SpectraBase Compound ID LeyxtrqQQin
InChI InChI=1S/C19H26O4/c1-19(2,3)13-22-17(20)15-11-7-8-12-16(15)18(21)23-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3
InChIKey NBIYSQQLKAMQJP-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRs6FWEyx5Z
Name Phthalic acid, cyclohexyl neopentyl ester
Alternate Name(s) benzene-1,2-dicarboxylic acid O2-cyclohexyl ester O1-(2,2-dimethylpropyl) ester 2-O-cyclohexyl 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-cyclohexyl O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
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Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-19(2,3)13-22-17(20)15-11-7-8-12-16(15)18(21)23-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3
InChIKey NBIYSQQLKAMQJP-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES c1c(c(ccc1)C(OC1CCCCC1)=O)C(OCC(C)(C)C)=O
SPLASH splash10-0002-3900000000-d53b3a05ade548400f69
Source of Spectrum NP-11-1261-0
Wiley ID 1109403