| SpectraBase Spectrum ID |
FeDqmb64dbn |
| Name |
(8as)-1,4-Diketo-2,3,6,7,8,8A-hexahydropyrrolo[1,2-A]pyrazine-3-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.079706870 u |
| Formula |
C9H12N2O4 |
| InChI |
InChI=1S/C9H12N2O4/c1-15-9(14)6-8(13)11-4-2-3-5(11)7(12)10-6/h5-6H,2-4H2,1H3,(H,10,12)/t5-,6?/m0/s1 |
| InChIKey |
BCLZBIKOVKIFHU-ZBHICJROSA-N |
| Molecular Weight |
212.205 g/mol |
| SMILES |
C1(C(N2CCC[C@]2(C(N1)=O)[H])=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957836 |
![(8aS)-1,4-diketo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid methyl ester](/api/spectrum/FeDqmb64dbn/structure.png?h=300&w=458 "(8aS)-1,4-diketo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid methyl ester")
