Debug Info

object
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_id
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1IMbRpmP4ol
spectrumID
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1IMbRpmP4ol
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specType
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131072
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dbLocation
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WMSL3X:166140:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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7-Butyl-1,3-dimethyl-6-(1,3,4-trimethyl-2,6-dioxo-5-pyrimidinyl)-6H-pyrido[3,4-d]pyrimidine-2,4-dione
SpectraBase Compound ID KRjCbsvvx41
InChI InChI=1S/C20H27N5O4/c1-7-8-9-25-11-15-13(17(26)23(5)20(29)22(15)4)10-14(25)16-12(2)21(3)19(28)24(6)18(16)27/h10-11,14H,7-9H2,1-6H3
InChIKey UAMDNEUPZMZJTC-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C20H27N5O4
Exact Mass 401.206304 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IMbRpmP4ol
Name 7-Butyl-1,3-dimethyl-6-(1,3,4-trimethyl-2,6-dioxo-5-pyrimidinyl)-6H-pyrido[3,4-d]pyrimidine-2,4-dione
CAS Registry Number 117175-86-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N5O4
InChI InChI=1S/C20H27N5O4/c1-7-8-9-25-11-15-13(17(26)23(5)20(29)22(15)4)10-14(25)16-12(2)21(3)19(28)24(6)18(16)27/h10-11,14H,7-9H2,1-6H3
InChIKey UAMDNEUPZMZJTC-UHFFFAOYSA-N
Molecular Weight 401.467 g/mol
SMILES C=1(C(N(C)C(N(C1C)C)=O)=O)C1C=C2C(N(C)C(N(C2=CN1CCCC)C)=O)=O
SPLASH splash10-0006-0029200000-fe6d67250d3092cef2ca
Source of Spectrum Y-25-207-3
Synonyms 7-Butyl-1,3-dimethyl-6-(1,3,4-trimethyl-2,6-dioxo-pyrimidin-5-yl)-6H-pyrido[3,4-d]pyrimidine-2,4-dione 7-Butyl-1,3-dimethyl-6-[1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-6H-pyrido[3,4-d]pyrimidine-2,4-dione 7-Butyl-6-(2,4-diketo-1,3,6-trimethyl-pyrimidin-5-yl)-1,3-dimethyl-6H-pyrido[3,4-d]pyrimidine-2,4-quinone
Wiley ID 1369948
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