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RO 15-4513 artifact
SpectraBase Compound ID 7HjjFOddbdy
InChI InChI=1S/C15H16N4O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7,16H2,1-2H3
InChIKey VSPCCSPOHIQURG-UHFFFAOYSA-N
Mol Weight 300.32 g/mol
Molecular Formula C15H16N4O3
Exact Mass 300.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nlWNGQKrA
Name RO 15-4513 artifact
Classification Antagonist of ethanol
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Exact Mass 300.122240388 u
Formula C15H16N4O3
InChI InChI=1S/C15H16N4O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7,16H2,1-2H3
InChIKey VSPCCSPOHIQURG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 300.318 g/mol
SMILES C1N(C)C(=O)c2c(ccc(c2)N)-[n]2cnc(C(OCC)=O)c12
SPLASH splash10-0fb9-4891000000-567c779f2bf29eab29b2
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3677