![cis-3,3a,4,5,6,10b-hexahydro-2H-oxazolo[4',5',.6,7]cyclohepta[1,2-b]pyridin-2-one](/api/spectrum/9YhVXmJkpW0/structure.png?h=300&w=458 "cis-3,3a,4,5,6,10b-hexahydro-2H-oxazolo[4',5',.6,7]cyclohepta[1,2-b]pyridin-2-one")
| SpectraBase Compound ID | 2sEqtTJk2BP |
|---|---|
| InChI | InChI=1S/C11H12N2O2/c14-11-13-8-5-1-3-7-4-2-6-12-9(7)10(8)15-11/h2,4,6,8,10H,1,3,5H2,(H,13,14)/t8-,10-/m1/s1 InChI=1S/C11H12N2O2/c14-11-13-8-5-1-3-7-4-2-6-12-9(7)10(8)15-11/h2,4,6,8,10H,1,3,5H2,(H,13,14)/t8-,10-/m0/s1 |
| InChIKey | LKJJKPKRLZUBAS-PSASIEDQSA-N |
| Mol Weight | 204.23 g/mol |
| Molecular Formula | C11H12N2O2 |
| Exact Mass | 204.089878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9YhVXmJkpW0 |
|---|---|
| Name | cis-3,3A,4,5,6,10B-Hexahydro-2H-oxazolo[4',5',.6,7]cyclohepta[1,2-B]pyridin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.089877632 u |
| Formula | C11H12N2O2 |
| InChI | InChI=1S/C11H12N2O2/c14-11-13-8-5-1-3-7-4-2-6-12-9(7)10(8)15-11/h2,4,6,8,10H,1,3,5H2,(H,13,14)/t8-,10-/m1/s1 |
| InChIKey | LKJJKPKRLZUBAS-PSASIEDQSA-N |
| Molecular Weight | 204.229 g/mol |
| SMILES | N1[C@@]2(CCCC=3C=CC=NC3[C@@]2(OC1=O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.882412 |