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Phthalic acid, 4-cyanophenyl neopentyl ester
SpectraBase Compound ID 7SiLH2kBN5Y
InChI InChI=1S/C20H19NO4/c1-20(2,3)13-24-18(22)16-6-4-5-7-17(16)19(23)25-15-10-8-14(12-21)9-11-15/h4-11H,13H2,1-3H3
InChIKey PBNOPTZXRRAWGS-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C20H19NO4
Exact Mass 337.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KF1ct8pgFJl
Name Phthalic acid, 4-cyanophenyl neopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO4
InChI InChI=1S/C20H19NO4/c1-20(2,3)13-24-18(22)16-6-4-5-7-17(16)19(23)25-15-10-8-14(12-21)9-11-15/h4-11H,13H2,1-3H3
InChIKey PBNOPTZXRRAWGS-UHFFFAOYSA-N
Molecular Weight 337.375 g/mol
SMILES c1(c(cccc1)C(OCC(C)(C)C)=O)C(Oc1ccc(C#N)cc1)=O
SPLASH splash10-0fdk-9840000000-c09fe91cb71da40ab1df
Source of Spectrum NP-12-1073-0
Synonyms benzene-1,2-dicarboxylic acid O2-(4-cyanophenyl) ester O1-(2,2-dimethylpropyl) ester 2-O-(4-cyanophenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-(4-cyanophenyl) O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
Wiley ID 1110103