| SpectraBase Compound ID | DIOwVsuYM5E |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)8-9-16(19)23-12-10-13-6-4-5-7-14(13)17(20)21/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | VHWPQQSKKHCWRQ-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9MfDhEGFHlS |
|---|---|
| Name | Succinic acid, butyl 2-nitrophenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)8-9-16(19)23-12-10-13-6-4-5-7-14(13)17(20)21/h4-7H,2-3,8-12H2,1H3 |
| InChIKey | VHWPQQSKKHCWRQ-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OCCC1=C(C=CC=C1)N(=O)=O)=O)(OCCCC)=O |