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4-endo-(2-CHLORO-ETHYL)-2-OXABICYCLO-[3.3.0]-OCT-6-EN-2-ONE
SpectraBase Compound ID 2EGqnRwYqoA
InChI InChI=1S/C9H11ClO2/c10-5-4-7-6-2-1-3-8(6)12-9(7)11/h1-2,6-8H,3-5H2/t6-,7+,8-/m0/s1
InChIKey PLEWJSIOELGVSJ-RNJXMRFFSA-N
Mol Weight 186.64 g/mol
Molecular Formula C9H11ClO2
Exact Mass 186.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NGSnnvF7MI
Name (1S,4R,5S)-(2-chloroethyl)-2-oxabicyclo[3.3.0]oct-6-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11ClO2
InChI InChI=1S/C9H11ClO2/c10-5-4-7-6-2-1-3-8(6)12-9(7)11/h1-2,6-8H,3-5H2/t6-,7+,8-/m0/s1
InChIKey PLEWJSIOELGVSJ-RNJXMRFFSA-N
Molecular Weight 186.638 g/mol
SMILES C1(O[C@]2(CC=C[C@]2([C@]1(CCCl)[H])[H])[H])=O
SPLASH splash10-004i-9200000000-c03d1dee9ca63fad5f8a
Source of Spectrum KC-0-2062-9
Synonyms (3R,3aS,6aS)-3-(2-chloroethyl)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-one racemic 4-endo-(2-chloroethyl)-2-oxabicyclo[3.3.0]oct-6-en-3-one
Wiley ID 784375