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Valproic acid-D6
SpectraBase Compound ID CETaAxr9QWR
InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChIKey NIJJYAXOARWZEE-WFGJKAKNSA-N
Mol Weight 150.25 g/mol
Molecular Formula C8H10D6O2
Exact Mass 150.15269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak4Asq9eLVW
Name Valproic acid-D6
CAS Registry Number 87745-18-4
Classification Internal standard Anticonvulsant
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Exact Mass 150.152690229 u
Formula C8H10D6O2
InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChIKey NIJJYAXOARWZEE-WFGJKAKNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.251 g/mol
SMILES C(CC(C(O)=O)CCC([D])([D])[D])C([D])([D])[D]
SPLASH splash10-05fr-9800000000-59e96c166c95130a9f3f
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_8035