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Suxibuzone ME
SpectraBase Compound ID Ihau3ySp0S7
InChI InChI=1S/C25H28N2O6/c1-3-4-17-25(18-33-22(29)16-15-21(28)32-2)23(30)26(19-11-7-5-8-12-19)27(24(25)31)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKey BJBCBIVLODJUGN-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPMkQeiToMk
Name Suxibuzone ME
Classification Analgesic
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Exact Mass 452.194736624 u
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-3-4-17-25(18-33-22(29)16-15-21(28)32-2)23(30)26(19-11-7-5-8-12-19)27(24(25)31)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKey BJBCBIVLODJUGN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.507 g/mol
SMILES c1c(cccc1)N1C(C(C(N1c1ccccc1)=O)(CCCC)COC(CCC(=O)OC)=O)=O
SPLASH splash10-0ar0-9810100000-ae1f0dd233e15191bf2f
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_2820