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2-(Phenylseleno[80Se])-2,2-bis[8'-(tetrahydropyranyloxy)oct-4'-enyl]acetonitrile
SpectraBase Compound ID 7xXBgpJNbfI
InChI InChI=1S/C34H51NO4Se/c35-30-34(40-31-20-10-9-11-21-31,24-14-5-1-3-7-16-26-36-32-22-12-18-28-38-32)25-15-6-2-4-8-17-27-37-33-23-13-19-29-39-33/h1-4,9-11,20-21,32-33H,5-8,12-19,22-29H2/b3-1+,4-2+/i40+1
InChIKey BKRCFKQRMYUZIK-IZLBBNAYSA-N
Mol Weight 617.7 g/mol
Molecular Formula C34H51NO480Se
Exact Mass 617.298331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ky38Yotih2
Name 2-(Phenylseleno[80Se])-2,2-bis[8'-(tetrahydropyranyloxy)oct-4'-enyl]acetonitrile
Alternate Name(s) 10-(2-oxanyloxy)-2-[8-(2-oxanyloxy)oct-4-enyl]-2-(phenylseleno)-6-decenenitrile, [80Se]-labelled 10-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)oct-4-enyl]-2-phenylselanyldec-6-enenitrile, [80Se]-labelled 2-Phenylselanyl-10-tetrahydropyran-2-yloxy-2-[(E)-8-tetrahydropyran-2-yloxyoct-4-enyl]dec-6-enenitrile, [80Se]-labelled 10-(oxan-2-yloxy)-2-[(E)-8-(oxan-2-yloxy)oct-4-enyl]-2-phenylselanyl-dec-6-enenitrile, [80Se]-labelled
Comments Original formula: C34H51NO4[80Se]
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Formula C34H51NO4Se
InChI InChI=1S/C34H51NO4Se/c35-30-34(40-31-20-10-9-11-21-31,24-14-5-1-3-7-16-26-36-32-22-12-18-28-38-32)25-15-6-2-4-8-17-27-37-33-23-13-19-29-39-33/h1-4,9-11,20-21,32-33H,5-8,12-19,22-29H2/b3-1+,4-2+/i40+1
InChIKey BKRCFKQRMYUZIK-IZLBBNAYSA-N
Molecular Weight 617.702 g/mol
SMILES C(#N)C([80Se]c1ccccc1)(CCC\C=C\CCCOC1OCCCC1)CCC\C=C\CCCOC1OCCCC1
SPLASH splash10-002r-9420000000-ff5750681e3a12ca77ba
Source of Spectrum D1-1997-567-4a
Wiley ID 834908