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5,2,8-Ethanylylidene-2H-cyclopent[b]oxepin-10-ol, 3-chloro-5,5a,8,8a-tetrahydro-, acetate, (2.alpha.,5.alpha.,5a.beta.,8.alpha.,8a.beta.,9R*,10R*)-
SpectraBase Compound ID 1VmAtDggyBH
InChI InChI=1S/C13H13ClO3/c1-5(15)16-12-8-4-9(14)13-10(12)7-3-2-6(8)11(7)17-13/h2-4,6-8,10-13H,1H3/t6-,7+,8-,10+,11+,12?,13-/m0/s1
InChIKey SFXXCOSXRKZFRE-USEOIXOXSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSOo0aFqaRY
Name 5,2,8-Ethanylylidene-2H-cyclopent[b]oxepin-10-ol, 3-chloro-5,5a,8,8a-tetrahydro-, acetate, (2.alpha.,5.alpha.,5a.beta.,8.alpha.,8a.beta.,9R*,10R*)-
CAS Registry Number 78630-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-5(15)16-12-8-4-9(14)13-10(12)7-3-2-6(8)11(7)17-13/h2-4,6-8,10-13H,1H3/t6-,7+,8-,10+,11+,12?,13-/m0/s1
InChIKey SFXXCOSXRKZFRE-USEOIXOXSA-N
Molecular Weight 252.697 g/mol
SMILES [C@@]12([C@]3(O[C@]4([C@@]2(C=C[C@]4([C@@](C1OC(=O)C)(C=C3Cl)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0006-8900000000-985dd351b5bc8d006568
Source of Spectrum H-64-1013-0
Synonyms 5-Chloro-3-oxatetracyclo[5.5.0.0(2,10).0(4,9)]dodeca-5,11-dien-8-yl acetate [5-chloro-3-oxatetracyclo[5.5.0.0(2,10).0(4,9)]dodeca-5,11-dien-8endo-yl]ester of acetic acid
Wiley ID 1255280