![2,4-Pentadienoic acid, 5-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2,4-dimethyl-, methyl ester](/api/spectrum/F9vDOlX6YkM/structure.png?h=300&w=458 "2,4-Pentadienoic acid, 5-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2,4-dimethyl-, methyl ester")
| SpectraBase Compound ID | D3e5823YYKg |
|---|---|
| InChI | InChI=1S/C22H22ClNO4/c1-13(10-14(2)22(27)28-3)11-15-12-16(8-9-19(15)23)24-20(25)17-6-4-5-7-18(17)21(24)26/h8-12H,4-7H2,1-3H3/b13-11+,14-10- |
| InChIKey | QMBAFICWSQHSGE-JPLKHFHWSA-N |
| Mol Weight | 399.87 g/mol |
| Molecular Formula | C22H22ClNO4 |
| Exact Mass | 399.123736 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | F9vDOlX6YkM |
|---|---|
| Name | 2,4-Pentadienoic acid, 5-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2,4-dimethyl-, methyl ester |
| CAS Registry Number | 122008-93-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H22ClNO4 |
| InChI | InChI=1S/C22H22ClNO4/c1-13(10-14(2)22(27)28-3)11-15-12-16(8-9-19(15)23)24-20(25)17-6-4-5-7-18(17)21(24)26/h8-12H,4-7H2,1-3H3/b13-11+,14-10- |
| InChIKey | QMBAFICWSQHSGE-JPLKHFHWSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |