![(1R,5R)-6-(methoxycarbonyl)-2-oxa-6-azabicyclo[3.3.0]octan-3-one](/api/spectrum/4gyqrncg4c9/structure.png?h=300&w=458 "(1R,5R)-6-(methoxycarbonyl)-2-oxa-6-azabicyclo[3.3.0]octan-3-one")
| SpectraBase Compound ID | EfNQeUSmS2r |
|---|---|
| InChI | InChI=1S/C8H11NO4/c1-12-8(11)9-3-2-6-5(9)4-7(10)13-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1 |
| InChIKey | LWFXPBDTCYVQPH-PHDIDXHHSA-N |
| Mol Weight | 185.18 g/mol |
| Molecular Formula | C8H11NO4 |
| Exact Mass | 185.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gyqrncg4c9 |
|---|---|
| Name | (1R,5R)-6-(Methoxycarbonyl)-2-oxa-6-azabicyclo[3.3.0]octan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.068807834 u |
| Formula | C8H11NO4 |
| InChI | InChI=1S/C8H11NO4/c1-12-8(11)9-3-2-6-5(9)4-7(10)13-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1 |
| InChIKey | LWFXPBDTCYVQPH-PHDIDXHHSA-N |
| Molecular Weight | 185.179 g/mol |
| SMILES | [C@@]12(N(CC[C@]1(OC(C2)=O)[H])C(=O)OC)[H] |