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(3S,4S,5RS)-3,4-diacetoxy-1-(5-phenyl-4-pentynyl)-5-(phenylseleno)-2-pyrrolidinone
SpectraBase Compound ID BMXc9lpDCCy
InChI InChI=1S/C25H25NO5Se/c1-18(27)30-22-23(31-19(2)28)25(32-21-15-9-4-10-16-21)26(24(22)29)17-11-5-8-14-20-12-6-3-7-13-20/h3-4,6-7,9-10,12-13,15-16,22-23,25H,5,11,17H2,1-2H3/t22-,23-,25?/m0/s1
InChIKey IJGVAZGUTZAOOX-REQUTJCGSA-N
Mol Weight 498.45 g/mol
Molecular Formula C25H25NO5Se
Exact Mass 499.089795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8dUfzeFqCj
Name (3S,4S,5RS)-3,4-diacetoxy-1-(5-phenyl-4-pentynyl)-5-(phenylseleno)-2-pyrrolidinone
Alternate Name(s) (3S,4S)-4-(acetyloxy)-2-oxo-1-(5-phenyl-4-pentynyl)-5-(phenylselanyl)pyrrolidinyl acetate
CAS Registry Number 117269-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO5Se
InChI InChI=1S/C25H25NO5Se/c1-18(27)30-22-23(31-19(2)28)25(32-21-15-9-4-10-16-21)26(24(22)29)17-11-5-8-14-20-12-6-3-7-13-20/h3-4,6-7,9-10,12-13,15-16,22-23,25H,5,11,17H2,1-2H3/t22-,23-,25?/m0/s1
InChIKey IJGVAZGUTZAOOX-REQUTJCGSA-N
Molecular Weight 498.449 g/mol
SMILES C1(N(C([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])=O)CCCC#Cc1ccccc1)[Se]c1ccccc1
SPLASH splash10-0zfu-2469000000-e7ccc536f7fac25dc0a3
Source of Spectrum J-53-6028-5
Wiley ID 1398711