| SpectraBase Compound ID | 9XtMtuQ12Br |
|---|---|
| InChI | InChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h5-7H,1-4H2/t6-,7+/m1/s1 |
| InChIKey | QUNHXAQCYHKALK-RQJHMYQMSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9PKpIhuPKg |
|---|---|
| Name | 1H-Pyrrolizine-1-carboxaldehyde, hexahydro-5-oxo-, trans-(.+-.)- |
| CAS Registry Number | 97998-14-6 |
| Comments | Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821135 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h5-7H,1-4H2/t6-,7+/m1/s1 |
| InChIKey | QUNHXAQCYHKALK-RQJHMYQMSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | [C@@]12(N(CC[C@@]2(C=O)[H])C(CC1)=O)[H] |
| SPLASH | splash10-001r-9000000000-52b7881889a2ea5221bd |
| Source of Spectrum | J-54-4348-14 |
| Synonyms | (1S,7aS)-5-oxohexahydro-1H-pyrrolo[1,2-a]pyrrole-1-carbaldehyde (1S,8S)-5-ketopyrrolizidine-1-carbaldehyde (1S,8S)-5-oxidanylidene-1,2,3,6,7,8-hexahydropyrrolizine-1-carbaldehyde (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carbaldehyde (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxaldehyde 2-Formyl-5-azabicyclo[3.3.0]octan-6-one |
| Wiley ID | 1150399 |