| SpectraBase Spectrum ID |
HmRfc89i1RF |
| Name |
2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-1,3-dioxo-.alpha.-2-propynyl-, 1,1-dimethylethyl ester, (.+-.)- |
| CAS Registry Number |
130892-53-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O4 |
| InChI |
InChI=1S/C18H16N2O4/c1-5-10-18(11-19,16(23)24-17(2,3)4)20-14(21)12-8-6-7-9-13(12)15(20)22/h1,6-9H,10H2,2-4H3 |
| InChIKey |
ZXHOLRLTGWXHCY-UHFFFAOYSA-N |
| Molecular Weight |
324.336 g/mol |
| SMILES |
C1(N(C(c2ccccc12)=O)C(C(OC(C)(C)C)=O)(C#N)CC#C)=O |
| SPLASH |
splash10-0ab9-9340000000-b52123d91eee75ec973f |
| Source of Spectrum |
F-46-5270-12 |
| Synonyms |
t-Butyl 2-phthaloyl-2-cyano-4-pentynoate
tert-Butyl 2-cyano-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-pentynoate |
| Wiley ID |
1323168 |
