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(1S,5R)-2-Acetyl-5-(4-chloro-phenyl)-1-phenyl-4,5-dihydro-1H-1lambda*4*-thiophen-3-ol anion

View entire compound with spectra: 1 MS (GC)

(1S,5R)-2-Acetyl-5-(4-chloro-phenyl)-1-phenyl-4,5-dihydro-1H-1lambda*4*-thiophen-3-ol anion
SpectraBase Compound ID 3F5DJDJdp8n
InChI InChI=1S/C18H16ClO2S/c1-12(20)18-16(21)11-17(13-7-9-14(19)10-8-13)22(18)15-5-3-2-4-6-15/h2-10,17,21H,11H2,1H3/p-1/t17-/m1/s1
InChIKey UPQSPAYCKHXLRZ-QGZVFWFLSA-M
Mol Weight 331.84 g/mol
Molecular Formula C18H16ClO2S
Exact Mass 331.055954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LD2XS62FO91
Name (1S,5R)-2-Acetyl-5-(4-chloro-phenyl)-1-phenyl-4,5-dihydro-1H-1lambda*4*-thiophen-3-ol anion
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Formula C18H15ClO2S
InChI InChI=1S/C18H16ClO2S/c1-12(20)18-16(21)11-17(13-7-9-14(19)10-8-13)22(18)15-5-3-2-4-6-15/h2-10,17,21H,11H2,1H3/p-1/t17-/m1/s1
InChIKey UPQSPAYCKHXLRZ-QGZVFWFLSA-M
Molecular Weight 331.837 g/mol
SMILES S1([C@](CC(=C1C(=O)C)[O-])(c1ccc(cc1)Cl)[H])c1ccccc1
SPLASH splash10-0f83-0903000000-19ff5336e637f2af2932
Source of Spectrum E1-38-333-6
Synonyms (1S,5R)-2-acetyl-5-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-1lambda(4)-thiophen-3-olate trans-2-Acetyl-3-oxo-5-(4-chlorophenyl)-1-phenylthiolane-2-ylide
Wiley ID 1518149