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(3R,7aR)-1-Oxo-3-(trichloromethyl)-hexahydropyrrolo[1,2-c]-oxazol-7a-carbaldehyde
SpectraBase Compound ID KuHtHaLfIRV
InChI InChI=1S/C8H8Cl3NO3/c9-8(10,11)5-12-3-1-2-7(12,4-13)6(14)15-5/h4-5H,1-3H2/t5-,7-/m1/s1
InChIKey DGCUHAFGNUPTHQ-IYSWYEEDSA-N
Mol Weight 272.51 g/mol
Molecular Formula C8H8Cl3NO3
Exact Mass 270.956976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TztMgePQsb
Name (3R,7aR)-1-oxo-3-(Trichloromethyl)hexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde
Appearance White solid
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Exact Mass 270.956976219 u
Formula C8H8Cl3NO3
InChI InChI=1S/C8H8Cl3NO3/c9-8(10,11)5-12-3-1-2-7(12,4-13)6(14)15-5/h4-5H,1-3H2/t5-,7-/m1/s1
InChIKey DGCUHAFGNUPTHQ-IYSWYEEDSA-N
Instrument Name Finnigan MAT Incos 50
Ionization Type EI
Literature Reference DOI 10.1002/chem.201406493
Optical Rotation [a]D25 = 29.9 (c = 0.520, CHCl3)
Quality 327
SMILES [C@]1(OC([C@]2(N1CCC2)C=O)=O)(C(Cl)(Cl)Cl)[H]
SPLASH splash10-0006-9120000000-57b5cd37ad6f477dab3f
Source of Spectrum QE-21-SM8-10 (DOI: 10.1002/chem.201406493)
Wiley ID 1906590