| SpectraBase Spectrum ID |
ix6iCaFWP |
| Name |
2-Cyclohexene-1-carboxylic acid, 1-(2,3-dimethoxyphenyl)-4-oxo-, ethyl ester, (.+-.)- |
| CAS Registry Number |
104331-23-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O5 |
| InChI |
InChI=1S/C17H20O5/c1-4-22-16(19)17(10-8-12(18)9-11-17)13-6-5-7-14(20-2)15(13)21-3/h5-8,10H,4,9,11H2,1-3H3 |
| InChIKey |
RTIIJHWOYQLBRM-UHFFFAOYSA-N |
| Molecular Weight |
304.342 g/mol |
| SMILES |
C1(c2c(c(OC)ccc2)OC)(C=CC(CC1)=O)C(=O)OCC |
| SPLASH |
splash10-0f89-0096000000-6be820ec0d67a0ac724c |
| Source of Spectrum |
KC-1987-2697-7 |
| Synonyms |
ethyl 1-(2,3-dimethoxyphenyl)-4-oxo-2-cyclohexene-1-carboxylate
Ethyl 1-(2,3-dimethoxyphenyl)-4-oxocyclohex-2-enecarboxylate |
| Wiley ID |
1306460 |
