| SpectraBase Spectrum ID |
4a3kyXGJNCm |
| Name |
(E)-10-[(Ethoxycarbonyl)methylene]bicyclo[3.2.2]nona-3,6-dien-2-one isomer |
| Alternate Name(s) |
(2E)-2-(4-oxo-9-bicyclo[3.2.2]nona-2,6-dienylidene)acetic acid ethyl ester
ethyl (2E)-2-(4-oxo-9-bicyclo[3.2.2]nona-2,6-dienylidene)acetate
ethyl (2E)-2-(4-oxidanylidene-9-bicyclo[3.2.2]nona-2,6-dienylidene)ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O3 |
| InChI |
InChI=1S/C13H14O3/c1-2-16-13(15)8-10-7-9-3-5-11(10)12(14)6-4-9/h3-6,8-9,11H,2,7H2,1H3/b10-8+/t9-,11-/m1/s1 |
| InChIKey |
RQQJGRUXKVXCTN-YIVZINCLSA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
[C@]12(\C(C[C@](C=C2)(C=CC1=O)[H])=C\C(=O)OCC)[H] |
| SPLASH |
splash10-00or-9070000000-c869bcddf3a034d94039 |
| Source of Spectrum |
F-49-6734-6 |
| Wiley ID |
1217797 |
![(E)-10-[(Ethoxycarbonyl)methylene]bicyclo[3.2.2]nona-3,6-dien-2-one isomer](/api/spectrum/4a3kyXGJNCm/structure.png?h=300&w=458 "(E)-10-[(Ethoxycarbonyl)methylene]bicyclo[3.2.2]nona-3,6-dien-2-one isomer")
