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Isobutyl (3S,6R,7aR)-5-oxo-3-phenyl-6-(phenylseleno)tetrahydro-1H,3H-pyrrolo[2,1-c]oxazole-6-carboxylate
SpectraBase Compound ID KMYeZdMUo6X
InChI InChI=1S/C23H25NO4Se/c1-16(2)14-28-22(26)23(29-19-11-7-4-8-12-19)13-18-15-27-20(24(18)21(23)25)17-9-5-3-6-10-17/h3-12,16,18,20H,13-15H2,1-2H3/t18-,20+,23-/m0/s1
InChIKey NBQPMZFSTAHENL-NOXFTYBFSA-N
Mol Weight 458.43 g/mol
Molecular Formula C23H25NO4Se
Exact Mass 459.09488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tCCEVaPOEk
Name Isobutyl (3S,6R,7aR)-5-oxo-3-phenyl-6-(phenylseleno)tetrahydro-1H,3H-pyrrolo[2,1-c]oxazole-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4Se
InChI InChI=1S/C23H25NO4Se/c1-16(2)14-28-22(26)23(29-19-11-7-4-8-12-19)13-18-15-27-20(24(18)21(23)25)17-9-5-3-6-10-17/h3-12,16,18,20H,13-15H2,1-2H3/t18-,20+,23-/m0/s1
InChIKey NBQPMZFSTAHENL-NOXFTYBFSA-N
Molecular Weight 458.428 g/mol
SMILES [C@]1(C(N2[C@@](c3ccccc3)(OC[C@@]2(C1)[H])[H])=O)(C(OCC(C)C)=O)[Se]c1ccccc1
SPLASH splash10-0a6s-8954300000-bc6da31ba39436a07852
Source of Spectrum U1-2002-3548-11
Wiley ID 1523346