1-Benzyl-8-(4-chloro-3-methylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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Systematic / IUPAC Name: 1-Benzyl-8-(4-chloro-3-methylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference6476

Other Names: 1H-Purine-2,6-dione, 8-(4-chloro-3-methylphenoxy)-3,7-dihydro-3,7-dimethyl-1-(phenylmethyl)-

Formula: C21H19ClN4O3

Spectral Data

1-Benzyl-8-(4-chloro-3-methylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2017 11:49:28 AM
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Identificators

InChI InChI=1S/C21H19ClN4O3/c1-13-11-15(9-10-16(13)22)29-20-23-18-17(24(20)2)19(27)26(21(28)25(18)3)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChI Key QXRWTWJCCYVUIH-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=CC(=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)Cl
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Other Names 1H-Purine-2,6-dione, 8-(4-chloro-3-methylphenoxy)-3,7-dihydro-3,7-dimethyl-1-(phenylmethyl)-

In Other Databases

ChemSpider 2094597
PubChem 2816250