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(3S,7S,7aR)-7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
SpectraBase Compound ID KdbFTbYvjPH
InChI InChI=1S/C18H16ClNO2/c19-14-8-6-12(7-9-14)15-10-17(21)20-16(11-22-18(15)20)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+,18+/m0/s1
InChIKey YWDWUEJIOXLVFM-LZLYRXPVSA-N
Mol Weight 313.78 g/mol
Molecular Formula C18H16ClNO2
Exact Mass 313.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUvpgXhlYNf
Name (3S,7S,7aR)-7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.086956457 u
Formula C18H16ClNO2
InChI InChI=1S/C18H16ClNO2/c19-14-8-6-12(7-9-14)15-10-17(21)20-16(11-22-18(15)20)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+,18+/m0/s1
InChIKey YWDWUEJIOXLVFM-LZLYRXPVSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.a09
Molecular Weight 313.784 g/mol
Optical Rotation [a]D22 = +120 (c = 0.5, CH2Cl2)
Quality 44
SMILES [C@]12(N(C(C[C@]2(C2=CC=C(C=C2)Cl)[H])=O)[C@](CO1)(C1=CC=CC=C1)[H])[H]
SPLASH splash10-000j-0900000000-e18baf9798e6535ba4e2
Source of Spectrum ARK-2003-77-7a (DOI: 10.3998/ark.5550190.0004.a09)
Wiley ID 1899683