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Abacavir AC

View entire compound with spectra: 1 MS (GC)

Abacavir AC
SpectraBase Compound ID Aku5thUAH73
InChI InChI=1S/C16H20N6O2/c1-9(24)18-16-20-14(19-11-3-4-11)13-15(21-16)22(8-17-13)12-5-2-10(6-12)7-23/h2,5,8,10-12,23H,3-4,6-7H2,1H3,(H2,18,19,20,21,24)
InChIKey IXXAGLXNZVGKTI-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C16H20N6O2
Exact Mass 328.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wOpztipWTr
Name Abacavir AC
Classification Virustatic
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Exact Mass 328.164773906 u
Formula C16H20N6O2
InChI InChI=1S/C16H20N6O2/c1-9(24)18-16-20-14(19-11-3-4-11)13-15(21-16)22(8-17-13)12-5-2-10(6-12)7-23/h2,5,8,10-12,23H,3-4,6-7H2,1H3,(H2,18,19,20,21,24)
InChIKey IXXAGLXNZVGKTI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 328.376 g/mol
SMILES c12[n](cnc2c(nc(n1)NC(=O)C)NC1CC1)C1C=CC(C1)CO
SPLASH splash10-004r-4901000000-5ef9f9998f378c25806c
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_5868