| SpectraBase Compound ID | J7QfN3Z88wc |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-13(2)12-23-16(19)9-4-3-5-10-17(20)24-15-8-6-7-14(11-15)18(21)22/h6-8,11,13H,3-5,9-10,12H2,1-2H3 |
| InChIKey | BTAUBYUDJMLXLL-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 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 | 2bzJmVrO6mR |
|---|---|
| Name | Pimelic acid, isobutyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-13(2)12-23-16(19)9-4-3-5-10-17(20)24-15-8-6-7-14(11-15)18(21)22/h6-8,11,13H,3-5,9-10,12H2,1-2H3 |
| InChIKey | BTAUBYUDJMLXLL-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OC1=CC(=CC=C1)N(=O)=O)(=O)CCCCCC(OCC(C)C)=O |