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Olmesartan HFB
SpectraBase Compound ID IRpCD76w1Ln
InChI InChI=1S/C28H25F7N6O4/c1-4-7-19-36-21(25(2,3)45-24(44)26(29,30)27(31,32)28(33,34)35)20(23(42)43)41(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-37-39-40-38-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,42,43)(H,37,38,39,40)
InChIKey MGCOEBDOZLOAHI-UHFFFAOYSA-N
Mol Weight 642.53 g/mol
Molecular Formula C28H25F7N6O4
Exact Mass 642.18255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AvKRlZNwsa
Name Olmesartan HFB
Classification Antihypertensive
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Exact Mass 642.182550446 u
Formula C28H25N6O4F7
InChI InChI=1S/C28H25F7N6O4/c1-4-7-19-36-21(25(2,3)45-24(44)26(29,30)27(31,32)28(33,34)35)20(23(42)43)41(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-37-39-40-38-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,42,43)(H,37,38,39,40)
InChIKey MGCOEBDOZLOAHI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 642.535 g/mol
SMILES c1cc(ccc1C[n]1c(c(nc1CCC)C(C)(OC(C(F)(F)C(F)(F)C(F)(F)F)=O)C)C(=O)O)-c1ccccc1-c1[nH]nnn1
SPLASH splash10-0udi-1951560000-789dd74e18ca842ed73f
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_8157