| SpectraBase Spectrum ID |
2n0xQ6Swbqz |
| Name |
(E)-4-(2-ketocyclohexyl)but-2-enoic acid ethyl ester |
| Alternate Name(s) |
(E)-4-(2-oxocyclohexyl)-2-butenoic acid ethyl ester
Ethyl (E)-4-(2-oxidanylidenecyclohexyl)but-2-enoate
Ethyl (E)-4-(2-oxocyclohexyl)but-2-enoate |
| CAS Registry Number |
63082-53-1 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1209152 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h5,9-10H,2-4,6-8H2,1H3/b9-5+ |
| InChIKey |
NHCATSWOKAIHLJ-WEVVVXLNSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C(\C=C\CC1C(=O)CCCC1)(=O)OCC |
| SPLASH |
splash10-02ti-9710000000-77ede9251f3b4f2f94ee |
| Source of Spectrum |
B-30-561-0 |
| Wiley ID |
1821347 |
