| SpectraBase Spectrum ID |
aqeZDz0Qi |
| Name |
3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-keto-cyclohex-3-en-1-yl]propionic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22INO3 |
| InChI |
InChI=1S/C18H22INO3/c1-3-18(11-9-17(22)23-2)10-8-13(12-16(18)21)20-15-7-5-4-6-14(15)19/h4-7,12,20H,3,8-11H2,1-2H3/t18-/m0/s1 |
| InChIKey |
KNLHVTIZLMSUSS-SFHVURJKSA-N |
| Molecular Weight |
427.282 g/mol |
| SMILES |
N(C1=CC([C@@](CCC(=O)OC)(CC)CC1)=O)c1c(I)cccc1 |
| SPLASH |
splash10-001l-0719000000-f42e2fce5a4acace05ea |
| Source of Spectrum |
J-59-2300-44 |
| Synonyms |
3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-oxo-1-cyclohex-3-enyl]propanoic acid methyl ester
Methyl 3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-oxo-cyclohex-3-en-1-yl]propanoate
Methyl 3-[(1S)-1-ethyl-4-[(2-iodanylphenyl)amino]-2-oxidanylidene-cyclohex-3-en-1-yl]propanoate |
| Wiley ID |
1380332 |
![3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-keto-cyclohex-3-en-1-yl]propionic acid methyl ester](/api/spectrum/aqeZDz0Qi/structure.png?h=300&w=458 "3-[(1S)-1-ethyl-4-(2-iodoanilino)-2-keto-cyclohex-3-en-1-yl]propionic acid methyl ester")
