| SpectraBase Compound ID | Hbr50oy4quS |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-7-14(2)25-18(21)11-10-17(20)24-13-15-8-6-9-16(12-15)19(22)23/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3 |
| InChIKey | ZJRPPHOSHXORDS-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 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 | KD1eTBdjj8X |
|---|---|
| Name | Succinic acid, hept-2-yl 3-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.168187523 u |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-7-14(2)25-18(21)11-10-17(20)24-13-15-8-6-9-16(12-15)19(22)23/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3 |
| InChIKey | ZJRPPHOSHXORDS-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O |