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(RR)/(SS) and (RS)/(SR)-8-(2-chlor-1,2-diphenylethyl)-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
SpectraBase Compound ID L9dbzgDp9dU
InChI InChI=1S/C22H21ClN4O2/c1-25-18-20(26(2)22(29)27(3)21(18)28)24-19(25)16(14-10-6-4-7-11-14)17(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKey XYAVQHJCBVTIOJ-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C22H21ClN4O2
Exact Mass 408.135304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGbzArlAvVa
Name (RR)/(SS) and (RS)/(SR)-8-(2-chlor-1,2-diphenylethyl)-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
CAS Registry Number 99765-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN4O2
InChI InChI=1S/C22H21ClN4O2/c1-25-18-20(26(2)22(29)27(3)21(18)28)24-19(25)16(14-10-6-4-7-11-14)17(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKey XYAVQHJCBVTIOJ-UHFFFAOYSA-N
Molecular Weight 408.889 g/mol
SMILES c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(C(c1ccccc1)Cl)c1ccccc1
SPLASH splash10-001i-0091000000-abeb6ab12b38e850a051
Source of Spectrum K-119-1534-0
Synonyms 8-(2-Chloro-1,2-diphenylethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1372923