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1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
SpectraBase Compound ID DBm0d2y3vAC
InChI InChI=1S/C10H7N3O2/c14-9-7-5-3-1-2-4-6(5)11-8(7)12-10(15)13-9/h1-4H,(H3,11,12,13,14,15)
InChIKey SDJWQYSENOMSPV-UHFFFAOYSA-N
Mol Weight 201.19 g/mol
Molecular Formula C10H7N3O2
Exact Mass 201.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UfswW0rFI5
Name 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
Alternate Name(s) 1,9-Dihydropyrimido[4,5-b]indole-2,4-dione 1,9-Dihydropyrimid[4,5-b]indole-2,4-quinone
CAS Registry Number 115127-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O2
InChI InChI=1S/C10H7N3O2/c14-9-7-5-3-1-2-4-6(5)11-8(7)12-10(15)13-9/h1-4H,(H3,11,12,13,14,15)
InChIKey SDJWQYSENOMSPV-UHFFFAOYSA-N
Molecular Weight 201.185 g/mol
SMILES N1C(c2c(NC1=O)[nH]c1ccccc21)=O
SPLASH splash10-0pb9-0900000000-a31e5777df7c07f1b4e0
Source of Spectrum AH-119-101-4
Wiley ID 1198665