![Hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one](/api/spectrum/80nlyYsWrQR/structure.png?h=300&w=458 "Hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one")
| SpectraBase Compound ID | 6UsEpa0FA7Y |
|---|---|
| InChI | InChI=1S/C9H13NO2/c11-8-7-5-6-1-4-12-9(6,7)2-3-10-8/h6-7H,1-5H2,(H,10,11) |
| InChIKey | QBDMMSAIXIDERB-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 80nlyYsWrQR |
|---|---|
| Name | Hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c11-8-7-5-6-1-4-12-9(6,7)2-3-10-8/h6-7H,1-5H2,(H,10,11) |
| InChIKey | QBDMMSAIXIDERB-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | N1CCC23C(C1=O)CC2CCO3 |
| SPLASH | splash10-0a4j-9200000000-710f4b7a3d73178ec2d5 |
| Source of Spectrum | J-73-2355-31 |
| Wiley ID | 1668050 |