| SpectraBase Spectrum ID |
1BIFaEQGYQp |
| Name |
1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester |
| CAS Registry Number |
121103-61-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24N2O6 |
| InChI |
InChI=1S/C18H24N2O6/c1-18(2,3)26-17(23)16-11(6-7-14(21)24-4)12(10-15(22)25-5)13(20-16)8-9-19/h20H,6-8,10H2,1-5H3 |
| InChIKey |
USAIHDUVAHOHFZ-UHFFFAOYSA-N |
| Molecular Weight |
364.398 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)CC#N |
| SPLASH |
splash10-0002-0090000000-5c7e7d97ac3add62e0fa |
| Source of Spectrum |
KC-1989-274-46 |
| Synonyms |
t-butyl 5-cyanomethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylpyrrole-2-carboxylate
tert-butyl 5-(cyanomethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate |
| Wiley ID |
1350669 |
![1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester](/api/spectrum/1BIFaEQGYQp/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester")
