![(5S / 5R)-5-Hydroxy-2,7,11,12-tetraazapentacyclo[11.2.1.0(2,7).0(8,15).0(10,14)]hexadec-11-en-3-one](/api/spectrum/BtxwK6hxchk/structure.png?h=300&w=458 "(5S / 5R)-5-Hydroxy-2,7,11,12-tetraazapentacyclo[11.2.1.0(2,7).0(8,15).0(10,14)]hexadec-11-en-3-one")
| SpectraBase Compound ID | 5CVm0XWO5Qz |
|---|---|
| InChI | InChI=1S/C12H16N4O2/c17-5-1-10(18)16-9-3-7-11-6(13-14-7)2-8(12(9)11)15(16)4-5/h5-9,11-12,17H,1-4H2 |
| InChIKey | LTQFJQMFFJPOIT-UHFFFAOYSA-N |
| Mol Weight | 248.29 g/mol |
| Molecular Formula | C12H16N4O2 |
| Exact Mass | 248.127326 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtxwK6hxchk |
|---|---|
| Name | (5S / 5R)-5-Hydroxy-2,7,11,12-tetraazapentacyclo[11.2.1.0(2,7).0(8,15).0(10,14)]hexadec-11-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16N4O2 |
| InChI | InChI=1S/C12H16N4O2/c17-5-1-10(18)16-9-3-7-11-6(13-14-7)2-8(12(9)11)15(16)4-5/h5-9,11-12,17H,1-4H2 |
| InChIKey | LTQFJQMFFJPOIT-UHFFFAOYSA-N |
| Molecular Weight | 248.286 g/mol |
| SMILES | OC1CC(N2N(C3CC4C5C3C2CC5N=N4)C1)=O |
| SPLASH | splash10-000b-0970000000-0069a92f28750132c4ca |
| Source of Spectrum | H-2005-1324-20 |
| Synonyms | (5R / 5S)-5-Hydroxy-2,7,11,12-tetraazapentacyclo[11.2.1.0(2,7).0(8,15).0(10,14)]hexadec-11-en-3-one 7-Hydroxy-2a,3,3a,7,8,9a,10,10a,10b,10c-decahydropyrazolo[3'',4'',5'':3',4']pentaleno[1',6':3,4,5]pyrazolo[1,2-a]pyridazin-5(6H)-one |
| Wiley ID | 1562498 |