| SpectraBase Spectrum ID |
508tyVNnge4 |
| Name |
Dimethyl (E)-2-[4-chloro-7-(1,3-dioxoisoindolin-2-yl)-1-phenylhept-3-en-2-yl]malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.144865255 u |
| Formula |
C26H26ClNO6 |
| InChI |
InChI=1S/C26H26ClNO6/c1-33-25(31)22(26(32)34-2)18(15-17-9-4-3-5-10-17)16-19(27)11-8-14-28-23(29)20-12-6-7-13-21(20)24(28)30/h3-7,9-10,12-13,16,18,22H,8,11,14-15H2,1-2H3/b19-16+ |
| InChIKey |
BNZQIXAAOSFPLZ-KNTRCKAVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
483.948 g/mol |
| Quality |
257 |
| Reported Formula |
C26H26ClNO6 |
| SMILES |
COC(C(C(=O)OC)C(\C=C/(CCCN1C(C2=C(C1=O)C=CC=C2)=O)Cl)CC1=CC=CC=C1)=O |
| SPLASH |
splash10-0w29-3519200000-a2e2827d7429965635ff |
| Source of Spectrum |
ACI-57-SM10-6e (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893184 |
![Dimethyl (E)-2-[4-chloro-7-(1,3-dioxoisoindolin-2-yl)-1-phenylhept-3-en-2-yl]malonate](/api/spectrum/508tyVNnge4/structure.png?h=300&w=458 "Dimethyl (E)-2-[4-chloro-7-(1,3-dioxoisoindolin-2-yl)-1-phenylhept-3-en-2-yl]malonate")
