| SpectraBase Spectrum ID |
Dy7dhNmAaNz |
| Name |
Butanedioic acid, [(7-methyl-5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester |
| CAS Registry Number |
72649-17-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H29NO5 |
| InChI |
InChI=1S/C23H29NO5/c1-15-8-9-17-10-11-18(24(17)19(25)12-15)13-16(21(27)29-23(5,6)7)14-20(26)28-22(2,3)4/h8-13H,14H2,1-7H3/b16-13+ |
| InChIKey |
DHGLEMHVAFRCHN-DTQAZKPQSA-N |
| Molecular Weight |
399.487 g/mol |
| SMILES |
c1([n]2c(cc1)C=CC(=CC2=O)C)\C=C\(C(OC(C)(C)C)=O)CC(OC(C)(C)C)=O |
| SPLASH |
splash10-000m-0591000000-1cc1f8e6a086879861c7 |
| Source of Spectrum |
K-112-3585-0 |
| Synonyms |
5H-pyrrolo[1,2-a]azepine, butanedioic acid deriv.
di(tert-butyl) (2E)-2-[(7-methyl-5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]butanedioate
Ditert-butylester of 2-(7-methyl-5-oxo-5H-pyrrolo(1,2-a)azepin-3-methylen)butane dicarboxilic acid |
| Wiley ID |
1369027 |
![Butanedioic acid, [(7-methyl-5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester](/api/spectrum/Dy7dhNmAaNz/structure.png?h=300&w=458 "Butanedioic acid, [(7-methyl-5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester")
