| SpectraBase Spectrum ID |
C2hsg21SYvr |
| Name |
Butanedioic acid, [(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester |
| Alternate Name(s) |
5H-pyrrolo[1,2-a]azepine, butanedioic acid deriv.
di(tert-butyl) (2E)-2-[(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]butanedioate
Di-tert-butylester of 2-(5-oxo-5H-pyrrolo(1,2-a)azepin-3-yl-methylen)butanedicarboxilic acid |
| CAS Registry Number |
72672-00-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27NO5 |
| InChI |
InChI=1S/C22H27NO5/c1-21(2,3)27-19(25)14-15(20(26)28-22(4,5)6)13-17-12-11-16-9-7-8-10-18(24)23(16)17/h7-13H,14H2,1-6H3/b15-13+ |
| InChIKey |
NQFRNKYUZROGJY-FYWRMAATSA-N |
| Molecular Weight |
385.460 g/mol |
| SMILES |
c1([n]2C(C=CC=Cc2cc1)=O)\C=C\(C(OC(C)(C)C)=O)CC(OC(C)(C)C)=O |
| SPLASH |
splash10-0zmi-0691000000-14dd71e851449255f70a |
| Source of Spectrum |
K-112-3584-0 |
| Wiley ID |
1362254 |
![Butanedioic acid, [(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester](/api/spectrum/C2hsg21SYvr/structure.png?h=300&w=458 "Butanedioic acid, [(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)methylene]-, bis(1,1-dimethylethyl) ester")
