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8-(1,2-Dibromo-2-phenylethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID tvOvnKSXyU
InChI InChI=1S/C16H16Br2N4O2/c1-20-12-14(21(2)16(24)22(3)15(12)23)19-13(20)11(18)10(17)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3
InChIKey CFJFJPXTRLDMJH-UHFFFAOYSA-N
Mol Weight 456.14 g/mol
Molecular Formula C16H16Br2N4O2
Exact Mass 453.964002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GiQOmr3ckN
Name 8-(1,2-Dibromo-2-phenylethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 8-(1,2-dibromo-2-phenyl-ethyl)-1,3,7-trimethyl-purine-2,6-dione 8-(1,2-dibromo-2-phenyl-ethyl)-1,3,7-trimethyl-xanthine 8-[1,2-bis(bromanyl)-2-phenyl-ethyl]-1,3,7-trimethyl-purine-2,6-dione erythro-8-(1,2-Dibromo-2-phenylethyl)-3,7-dihydro-1,3,7-trimethyl(1H)purine-2,6-dione
CAS Registry Number 99765-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Br2N4O2
InChI InChI=1S/C16H16Br2N4O2/c1-20-12-14(21(2)16(24)22(3)15(12)23)19-13(20)11(18)10(17)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3
InChIKey CFJFJPXTRLDMJH-UHFFFAOYSA-N
Molecular Weight 456.138 g/mol
SMILES C[n]1c2c(nc1C(C(c1ccccc1)Br)Br)N(C)C(N(C)C2=O)=O
SPLASH splash10-0002-0090000000-c9437ef2bc88026a825a
Source of Spectrum K-119-1536-12
Wiley ID 1388583