![{1-[2-oxo-2-(4-Toluidino)ethyl]cyclopentyl}acetic acid](/api/spectrum/ANw2QnBACL5/structure.png?h=300&w=458 "{1-[2-oxo-2-(4-Toluidino)ethyl]cyclopentyl}acetic acid")
| SpectraBase Compound ID | GMSbemYH90H |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-12-4-6-13(7-5-12)17-14(18)10-16(11-15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | PUIZZPYKVQVHPK-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANw2QnBACL5 |
|---|---|
| Name | {1-[2-oxo-2-(4-Toluidino)ethyl]cyclopentyl}acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-12-4-6-13(7-5-12)17-14(18)10-16(11-15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | PUIZZPYKVQVHPK-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | N(C(CC1(CC(=O)O)CCCC1)=O)C1=CC=C(C=C1)C |