| SpectraBase Compound ID | LYiFQjahKMn |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-12(11-16)9-10-19-14-6-3-13(4-7-14)5-8-15(17)18-2/h3-8,12,16H,9-11H2,1-2H3/b8-5+ |
| InChIKey | NVSFJPDUDSYLAJ-VMPITWQZSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LqI2WzFJZI |
|---|---|
| Name | Methyl nitinoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-12(11-16)9-10-19-14-6-3-13(4-7-14)5-8-15(17)18-2/h3-8,12,16H,9-11H2,1-2H3/b8-5+ |
| InChIKey | NVSFJPDUDSYLAJ-VMPITWQZSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(\C=C\C1=CC=C(C=C1)OCCC(CO)C)(=O)OC |