Octocrylene

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Systematic / IUPAC Name: 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate

ID: Reference3366

Other Names: Octocrilene;
2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester;
2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate;
2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate;
2-Ethylhexyl 2-cyano-3,3-diphenylpropenoate

Formula: C24H27NO2

Class: Extractables/Leachables Personal Care Products/Cosmetics Therapeutics/Prescription Drugs

Spectral Data

Octocrylene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 87
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2015 9:45:26 AM
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Identificators

InChI InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChI Key FMJSMJQBSVNSBF-UHFFFAOYSA-N
Canonical SMILES CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
CAS 6197304
Splash
Other Names Octocrilene;
2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester;
2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate;
2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate;
2-Ethylhexyl 2-cyano-3,3-diphenylpropenoate;
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester

In Other Databases

PubChem 22571
ChemSpider 21165
KEGG D05227
ChemIDPlus 006197304
Wikipedia Octocrylene
ChEMBL CHEMBL1201147