![Benzenepropanoic acid, 4-(cyclopentyloxy)-.beta.-[(9H-xanthen-9-ylcarbonyl)amino]-](/api/spectrum/8gSelDOQUtv/structure.png?h=300&w=458 "Benzenepropanoic acid, 4-(cyclopentyloxy)-.beta.-[(9H-xanthen-9-ylcarbonyl)amino]-")
| SpectraBase Compound ID | 1sPBCSE35JO |
|---|---|
| InChI | InChI=1S/C28H27NO5/c30-26(31)17-23(18-13-15-20(16-14-18)33-19-7-1-2-8-19)29-28(32)27-21-9-3-5-11-24(21)34-25-12-6-4-10-22(25)27/h3-6,9-16,19,23,27H,1-2,7-8,17H2,(H,29,32)(H,30,31) |
| InChIKey | GJJPUMALIUKIFJ-UHFFFAOYSA-N |
| Mol Weight | 457.53 g/mol |
| Molecular Formula | C28H27NO5 |
| Exact Mass | 457.188923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gSelDOQUtv |
|---|---|
| Name | Benzenepropanoic acid, 4-(cyclopentyloxy)-.beta.-[(9H-xanthen-9-ylcarbonyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 457.188922968 u |
| Formula | C28H27NO5 |
| InChI | InChI=1S/C28H27NO5/c30-26(31)17-23(18-13-15-20(16-14-18)33-19-7-1-2-8-19)29-28(32)27-21-9-3-5-11-24(21)34-25-12-6-4-10-22(25)27/h3-6,9-16,19,23,27H,1-2,7-8,17H2,(H,29,32)(H,30,31) |
| InChIKey | GJJPUMALIUKIFJ-UHFFFAOYSA-N |
| Molecular Weight | 457.526 g/mol |
| SMILES | C=1C=C(C=CC1C(CC(O)=O)NC(=O)C1C2=C(C=CC=C2)OC2=C1C=CC=C2)OC1CCCC1 |