| SpectraBase Compound ID | 452GBTe4UDa |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-3-8-17-12(9-13(14)15)10-4-6-11(16-2)7-5-10/h1,4-7,12H,8-9H2,2H3 |
| InChIKey | CVHLOHFJINKKSC-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hJYuxSiprg |
|---|---|
| Name | 1-(4'-Methoxyphenyl)-2-nitro-1-propargyloxyethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-3-8-17-12(9-13(14)15)10-4-6-11(16-2)7-5-10/h1,4-7,12H,8-9H2,2H3 |
| InChIKey | CVHLOHFJINKKSC-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C(N(=O)=O)C(C=1C=CC(=CC1)OC)OCC#C |