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4,2,8-Ethanylylidene-2H-1-benzopyran-10-one, 6-chloro-3,4,4a,5,8,8a-hexahydro-5-hydroxy-, (2.alpha.,4.alpha.,4a.beta.,5.beta.,8.alpha.,8a.beta.,9R*)-

View entire compound with spectra: 1 MS (GC)

4,2,8-Ethanylylidene-2H-1-benzopyran-10-one, 6-chloro-3,4,4a,5,8,8a-hexahydro-5-hydroxy-, (2.alpha.,4.alpha.,4a.beta.,5.beta.,8.alpha.,8a.beta.,9R*)-
SpectraBase Compound ID LJTt4GLIBEM
InChI InChI=1S/C11H11ClO3/c12-5-1-4-7-6-2-3(9(7)13)8(10(5)14)11(4)15-6/h1,3-4,6-8,10-11,14H,2H2/t3-,4+,6-,7-,8+,10?,11-/m1/s1
InChIKey NHTIYVLFUPWLHY-WABSJZKRSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hwEZTM4PHM
Name 4,2,8-Ethanylylidene-2H-1-benzopyran-10-one, 6-chloro-3,4,4a,5,8,8a-hexahydro-5-hydroxy-, (2.alpha.,4.alpha.,4a.beta.,5.beta.,8.alpha.,8a.beta.,9R*)-
CAS Registry Number 78630-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c12-5-1-4-7-6-2-3(9(7)13)8(10(5)14)11(4)15-6/h1,3-4,6-8,10-11,14H,2H2/t3-,4+,6-,7-,8+,10?,11-/m1/s1
InChIKey NHTIYVLFUPWLHY-WABSJZKRSA-N
Molecular Weight 226.659 g/mol
SMILES OC1C(=C[C@@]2([C@@]3([C@]1([C@@]1(C([C@]2([C@@](C1)(O3)[H])[H])=O)[H])[H])[H])[H])Cl
SPLASH splash10-0f95-8950000000-0aae27d3c778297b13c0
Source of Spectrum H-64-1017-0
Synonyms 11-chloro-10-hydroxy-7-oxatetracyclo[6.4.0.0(2,6).0(4,9)]dodec-11-en-3-one 11-Chloro-10exo-hydroxy-7-oxatetracyclo[6.4.0.0(2,6).0(4,9)]dodec-11-en-3-one
Wiley ID 1226980