1-(4-Chlorophenyl)-2-{[4-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)pyrimidin-2-yl]thio}ethan-1-one

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Systematic / IUPAC Name: 1-(4-Chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanone

ID: Reference8617

Other Names: Ethanone, 1-(4-chlorophenyl)-2-[[4-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]-;
1-(4-Chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanone

Formula: C23H21ClN2O2S

Spectral Data

1-(4-Chlorophenyl)-2-{[4-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)pyrimidin-2-yl]thio}ethan-1-one 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 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 7:07:10 AM
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Identificators

InChI InChI=1S/C23H21ClN2O2S/c1-23(2)11-9-17-13-16(5-8-21(17)28-23)19-10-12-25-22(26-19)29-14-20(27)15-3-6-18(24)7-4-15/h3-8,10,12-13H,9,11,14H2,1-2H3
InChI Key OMUPGCYNBOEDGT-UHFFFAOYSA-N
Canonical SMILES CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)C4=CC=C(C=C4)Cl)C
CAS
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Other Names Ethanone, 1-(4-chlorophenyl)-2-[[4-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]-;
1-(4-Chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanone

In Other Databases

ChemSpider 2099459
PubChem 2821231