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(E)-6-(3-keto-4,6-dimethoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid methyl ester
SpectraBase Compound ID ltXNFwirz8
InChI InChI=1S/C19H24O6/c1-11(7-9-15(20)22-3)6-8-13-17(23-4)12(2)14-10-25-19(21)16(14)18(13)24-5/h6H,7-10H2,1-5H3/b11-6+
InChIKey RJVANKLHHLOSMS-IZZDOVSWSA-N
Mol Weight 348.4 g/mol
Molecular Formula C19H24O6
Exact Mass 348.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49MDM2KfxI
Name Mycophenolic acid 2ME
Classification Immunosuppressant
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Exact Mass 348.157288487 u
Formula C19H24O6
InChI InChI=1S/C19H24O6/c1-11(7-9-15(20)22-3)6-8-13-17(23-4)12(2)14-10-25-19(21)16(14)18(13)24-5/h6H,7-10H2,1-5H3/b11-6+
InChIKey RJVANKLHHLOSMS-IZZDOVSWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 348.395 g/mol
Related CAS Registry Number(s) 24280-93-1
SMILES c1(c(OC)c(C\C=C\(CCC(=O)OC)C)c(c2C(=O)OCc12)OC)C
SPLASH splash10-00fv-4891000000-ccf00f370b92716570c2
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_6795