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3,6-Octadienoic acid, 2-hydroxy-8-(phenylseleno)-, methyl ester, (E,E)-
SpectraBase Compound ID 3LAsrGyKHEY
InChI InChI=1S/C15H18O3Se/c1-18-15(17)14(16)11-7-2-3-8-12-19-13-9-5-4-6-10-13/h3-11,14,16H,2,12H2,1H3/b8-3+,11-7+
InChIKey BSDVJHJYVKSVLL-UTNQCBOOSA-N
Mol Weight 325.28 g/mol
Molecular Formula C15H18O3Se
Exact Mass 326.042116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGJubVyQlHC
Name 3,6-Octadienoic acid, 2-hydroxy-8-(phenylseleno)-, methyl ester, (E,E)-
CAS Registry Number 121352-32-7
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O3Se
InChI InChI=1S/C15H18O3Se/c1-18-15(17)14(16)11-7-2-3-8-12-19-13-9-5-4-6-10-13/h3-11,14,16H,2,12H2,1H3/b8-3+,11-7+
InChIKey BSDVJHJYVKSVLL-UTNQCBOOSA-N
Molecular Weight 325.278 g/mol
SMILES OC(C(=O)OC)\C=C\C\C=C\C[Se]c1ccccc1
SPLASH splash10-004i-0409000000-a99572e18fd257dc8806
Source of Spectrum C-111-4885-28
Synonyms (E,E)-methyl 2-hydroxy-8-(phenylseleno)octa-3,6-dienoate methyl (3E,6E)-2-hydroxy-8-(phenylselanyl)-3,6-octadienoate
Wiley ID 1324488