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 |