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8-Chloro-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID F65q9f1WQR0
InChI InChI=1S/C16H25ClN4O2/c1-4-5-6-7-8-9-10-11-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-11H2,1-3H3
InChIKey ILPQSDANZQKBNX-UHFFFAOYSA-N
Mol Weight 340.86 g/mol
Molecular Formula C16H25ClN4O2
Exact Mass 340.166604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g7335ATIuV
Name 8-Chloro-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 309742-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25ClN4O2
InChI InChI=1S/C16H25ClN4O2/c1-4-5-6-7-8-9-10-11-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-11H2,1-3H3
InChIKey ILPQSDANZQKBNX-UHFFFAOYSA-N
Molecular Weight 340.855 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CCCCCCCCC)c(n1)Cl
SPLASH splash10-0btc-8596000000-5eccd24a089c124b5915
Source of Spectrum AD-0-2532-0
Synonyms 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-nonyl- 8-Chloranyl-1,3-dimethyl-7-nonyl-purine-2,6-dione 8-Chloro-1,3-dimethyl-7-nonyl-purine-2,6-dione 8-Chloro-1,3-dimethyl-7-nonyl-xanthine
Wiley ID 1429298