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Abacavir 2AC
SpectraBase Compound ID LUtFIJTIirz
InChI InChI=1S/C18H22N6O3/c1-10(25)20-18-22-16(21-13-4-5-13)15-17(23-18)24(9-19-15)14-6-3-12(7-14)8-27-11(2)26/h3,6,9,12-14H,4-5,7-8H2,1-2H3,(H2,20,21,22,23,25)
InChIKey MGGDPWPEYBOYGC-UHFFFAOYSA-N
Mol Weight 370.41 g/mol
Molecular Formula C18H22N6O3
Exact Mass 370.175339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LbTIUzwRM
Name Abacavir 2AC
Classification Virustatic
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Exact Mass 370.175338589 u
Formula C18H22N6O3
InChI InChI=1S/C18H22N6O3/c1-10(25)20-18-22-16(21-13-4-5-13)15-17(23-18)24(9-19-15)14-6-3-12(7-14)8-27-11(2)26/h3,6,9,12-14H,4-5,7-8H2,1-2H3,(H2,20,21,22,23,25)
InChIKey MGGDPWPEYBOYGC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 370.413 g/mol
SMILES c12nc(NC(=O)C)nc(c2nc[n]1C1C=CC(C1)COC(C)=O)NC1CC1
SPLASH splash10-00c9-4942000000-acc7e048c6b1e823cfa1
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.
Sample Preparation Procedure Detected: U+UHYAC
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_6558