![2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester](/api/spectrum/72CEA0hCBuv/structure.png?h=300&w=458 "2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester")
| SpectraBase Compound ID | 2SWmAnqAIDK |
|---|---|
| InChI | InChI=1S/C21H22ClNO4/c1-2-3-12-27-19(24)11-8-14-13-15(9-10-18(14)22)23-20(25)16-6-4-5-7-17(16)21(23)26/h8-11,13H,2-7,12H2,1H3/b11-8+ |
| InChIKey | WKYPDTUKIGSHBQ-DHZHZOJOSA-N |
| Mol Weight | 387.86 g/mol |
| Molecular Formula | C21H22ClNO4 |
| Exact Mass | 387.123736 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 72CEA0hCBuv |
|---|---|
| Name | 2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, butyl ester |
| CAS Registry Number | 111125-89-4 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H22ClNO4 |
| InChI | InChI=1S/C21H22ClNO4/c1-2-3-12-27-19(24)11-8-14-13-15(9-10-18(14)22)23-20(25)16-6-4-5-7-17(16)21(23)26/h8-11,13H,2-7,12H2,1H3/b11-8+ |
| InChIKey | WKYPDTUKIGSHBQ-DHZHZOJOSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |