![(3aR,3bS,6aS,7aS)-6-Oxo-3b,4,6,6a,7,7a-hexahydro-1H-5-oxa-2,3-diaza-cyclopenta[a]pentalene-3a-carboxylic acid methyl ester](/api/spectrum/rsZhCA80G/structure.png?h=300&w=458 "(3aR,3bS,6aS,7aS)-6-Oxo-3b,4,6,6a,7,7a-hexahydro-1H-5-oxa-2,3-diaza-cyclopenta[a]pentalene-3a-carboxylic acid methyl ester")
| SpectraBase Compound ID | 1lVMjU7Rrnh |
|---|---|
| InChI | InChI=1S/C10H12N2O4/c1-15-9(14)10-5(3-11-12-10)2-6-7(10)4-16-8(6)13/h5-7H,2-4H2,1H3/t5-,6-,7-,10+/m0/s1 |
| InChIKey | KYNNMFGKVIVLPF-ZFVDQJKFSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C10H12N2O4 |
| Exact Mass | 224.079707 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | rsZhCA80G |
|---|---|
| Name | (3aR,3bS,6aS,7aS)-6-Oxo-3b,4,6,6a,7,7a-hexahydro-1H-5-oxa-2,3-diaza-cyclopenta[a]pentalene-3a-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12N2O4 |
| InChI | InChI=1S/C10H12N2O4/c1-15-9(14)10-5(3-11-12-10)2-6-7(10)4-16-8(6)13/h5-7H,2-4H2,1H3/t5-,6-,7-,10+/m0/s1 |
| InChIKey | KYNNMFGKVIVLPF-ZFVDQJKFSA-N |
| Molecular Weight | 224.216 g/mol |
| SMILES | [C@@]12([C@@]3([C@@](C(=O)OC3)(C[C@]1(CN=N2)[H])[H])[H])C(=O)OC |
| SPLASH | splash10-004r-9800000000-f9fa4ae846e186a36e83 |
| Source of Spectrum | U1-1998-270-27 |
| Synonyms | Methyl (3aS,4aS,7aS,7bR)-5-oxo-3a,4,4a,5,7,7a-hexahydrofuro[3',4':4,5]cyclopenta[1,2-c]pyrazole-7b(3H)-carboxylate Methyl hexahydro-5-oxofuro[3',4' : 4,5]cyclopenta[1,2-c]pyrazole-7b(3H)-carboxylate (3aS,4aS,7aS,7bR)-5-oxo-3,3a,4,4a,7,7a-hexahydrofuro[3,4]cyclopenta[3,5-c]pyrazole-7b-carboxylic acid methyl ester Methyl (3aS,4aS,7aS,7bR)-5-oxo-3,3a,4,4a,7,7a-hexahydrofuro[3,4]cyclopenta[3,5-c]pyrazole-7b-carboxylate Methyl (3aS,4aS,7aS,7bR)-5-oxidanylidene-3,3a,4,4a,7,7a-hexahydrofuro[3,4]cyclopenta[3,5-c]pyrazole-7b-carboxylate |
| Wiley ID | 750687 |