| SpectraBase Spectrum ID |
ETfzjOH0e9O |
| Name |
Pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid, dimethyl ester |
| CAS Registry Number |
68950-07-2 |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C16H14NO4 - which differs from the formula reported for the mass spectrum (C16H13NO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13NO4 |
| InChI |
InChI=1S/C16H14NO4/c1-20-15(18)12-9-17-8-7-10-5-3-4-6-11(10)14(17)13(12)16(19)21-2/h3-9,17H,1-2H3 |
| InChIKey |
GUNRRFQRMPXYTM-UHFFFAOYSA-N |
| Molecular Weight |
284.291 g/mol |
| SMILES |
C(OC)(=O)C1=C2c3c(C=C[NH]2C=C1C(OC)=O)cccc3 |
| SPLASH |
splash10-001i-0090000000-c9303c1dd6cd0ff01696 |
| Source of Spectrum |
J-44-979-0 |
| Synonyms |
dimethyl 4H-4lambda(5)-pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Methyl benzo[g]indolizine-1,2-dicarboxylate
AIDS-126906
NSC 131466 |
| Wiley ID |
1286957 |
![Pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid, dimethyl ester](/api/spectrum/ETfzjOH0e9O/structure.png?h=300&w=458 "Pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid, dimethyl ester")
