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2-Benzoyl-2-[3-(phenylseleno)prop-2-ynyl]-4-pentenoic acid ethyl ester
SpectraBase Compound ID EJQPgwxMdjj
InChI InChI=1S/C23H22O3Se/c1-3-16-23(22(25)26-4-2,21(24)19-12-7-5-8-13-19)17-11-18-27-20-14-9-6-10-15-20/h3,5-10,12-15H,1,4,16-17H2,2H3
InChIKey QXEBLUCVJBMDAY-UHFFFAOYSA-N
Mol Weight 425.4 g/mol
Molecular Formula C23H22O3Se
Exact Mass 426.073417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fwmVfRS8n0
Name 2-Benzoyl-2-[3-(phenylseleno)prop-2-ynyl]-4-pentenoic acid ethyl ester
Alternate Name(s) 2-Benzoyl-2-[3-(phenylseleno)prop-2-ynyl]pent-4-enoic acid ethyl ester Ethyl 2-(phenylcarbonyl)-2-(3-phenylselanylprop-2-ynyl)pent-4-enoate Ethyl 2-benzoyl-2-(3-phenylselanylprop-2-ynyl)pent-4-enoate
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Formula C23H22O3Se
InChI InChI=1S/C23H22O3Se/c1-3-16-23(22(25)26-4-2,21(24)19-12-7-5-8-13-19)17-11-18-27-20-14-9-6-10-15-20/h3,5-10,12-15H,1,4,16-17H2,2H3
InChIKey QXEBLUCVJBMDAY-UHFFFAOYSA-N
Molecular Weight 425.398 g/mol
SMILES C(C(CC=C)(CC#C[Se]c1ccccc1)C(c1ccccc1)=O)(=O)OCC
SPLASH splash10-0a4i-3900000000-96b3f0b5ba64c50da5b9
Source of Spectrum K1-2004-3453-2
Wiley ID 1561321