![4a-Hydroxy-4-nitrotetradecahydrobenzo[a]cyclododecen-1(2H)-one](/api/spectrum/8gDrh8oEn4z/structure.png?h=300&w=458 "4a-Hydroxy-4-nitrotetradecahydrobenzo[a]cyclododecen-1(2H)-one")
| SpectraBase Compound ID | IALfT0ZWB8R |
|---|---|
| InChI | InChI=1S/C16H27NO4/c18-14-10-11-15(17(20)21)16(19)12-8-6-4-2-1-3-5-7-9-13(14)16/h13,15,19H,1-12H2 |
| InChIKey | XXJQRTXAOCTZMY-UHFFFAOYSA-N |
| Mol Weight | 297.39 g/mol |
| Molecular Formula | C16H27NO4 |
| Exact Mass | 297.194008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8gDrh8oEn4z |
|---|---|
| Name | 4a-Hydroxy-4-nitrotetradecahydrobenzo[a]cyclododecen-1(2H)-one |
| CAS Registry Number | 79880-69-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H27NO4 |
| InChI | InChI=1S/C16H27NO4/c18-14-10-11-15(17(20)21)16(19)12-8-6-4-2-1-3-5-7-9-13(14)16/h13,15,19H,1-12H2 |
| InChIKey | XXJQRTXAOCTZMY-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | OC12CCCCCCCCCCC2C(CCC1N(=O)=O)=O |
| SPLASH | splash10-0a4j-9310000000-e7da6910e6a25c1b1069 |
| Source of Spectrum | H-64-751-0 |
| Synonyms | 16-Nitrobicyclo[10.4.0]hexadecan-1-ol-13-one 4-Nitro-4a-oxidanyl-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one 4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzocyclododecen-1-one 4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one |
| Wiley ID | 1300096 |