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2-Normonyl-4(5)-phenylimidazle
SpectraBase Compound ID EJ5qVETmPFf
InChI InChI=1S/C25H34N2O5/c1-14(10-22-26-12-19(27-22)17-7-5-4-6-8-17)9-20-24(30)23(29)18(13-31-20)11-21-25(32-21)15(2)16(3)28/h4-8,10,12,15-16,18,20-21,23-25,28-30H,9,11,13H2,1-3H3,(H,26,27)/b14-10+/t15-,16-,18-,20-,21-,23+,24-,25-/m0/s1
InChIKey QKDRYVMRJRDJFU-KTDZATSLSA-N
Mol Weight 442.6 g/mol
Molecular Formula C25H34N2O5
Exact Mass 442.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx2l54m8Rs7
Name 2-Normonyl-4(5)-phenylimidazle
Alternate Name(s) (2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethyl]-2-[(E)-2-methyl-3-(4-phenyl-1H-imidazol-2-yl)-allyl]-tetrahydro-pyran-3,4-diol (3R,4R)-5-{[(2S,3S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}-2-[(2E)-2-methyl-3-(4-phenyl-1H-imidazol-2-yl)prop-2-en-1-yl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-[(E)-2-methyl-3-(5-phenyl-1H-imidazol-2-yl)prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]-2-[(E)-2-methyl-3-(5-phenyl-1H-imidazol-2-yl)prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-2-[(E)-2-methyl-3-(5-phenyl-1H-imidazol-2-yl)prop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxane-3,4-diol
Comments Less than 3 mono-isotopic peaks
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Formula C25H34N2O5
InChI InChI=1S/C25H34N2O5/c1-14(10-22-26-12-19(27-22)17-7-5-4-6-8-17)9-20-24(30)23(29)18(13-31-20)11-21-25(32-21)15(2)16(3)28/h4-8,10,12,15-16,18,20-21,23-25,28-30H,9,11,13H2,1-3H3,(H,26,27)/b14-10+/t15-,16-,18-,20-,21-,23+,24-,25-/m0/s1
InChIKey QKDRYVMRJRDJFU-KTDZATSLSA-N
Molecular Weight 442.556 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1nc(-c2ccccc2)c[nH]1)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0002-0900000000-bccb88c8a6e61ad837b1
Source of Spectrum KC-0-2662-3
Wiley ID 782312