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Cyclandelate AC
SpectraBase Compound ID DFBLMYj3Pmf
InChI InChI=1S/C19H26O4/c1-13-10-16(12-19(3,4)11-13)23-18(21)17(22-14(2)20)15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3
InChIKey MXXIIUVNLZVXDM-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jKvIaYcTC3
Name Cyclandelate AC
Classification Vasodilator
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13-10-16(12-19(3,4)11-13)23-18(21)17(22-14(2)20)15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3
InChIKey MXXIIUVNLZVXDM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.413 g/mol
SMILES c1(ccccc1)C(OC(=O)C)C(OC1CC(CC(C1)C)(C)C)=O
SPLASH splash10-066r-9300000000-95a6e2d3c66563bc7d4e
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_7525