![Benzoic acid, 4-[2-(1-pyrrolidinyl)ethoxy]-](/api/spectrum/J4Eeu8FthKp/structure.png?h=300&w=458 "Benzoic acid, 4-[2-(1-pyrrolidinyl)ethoxy]-")
| SpectraBase Compound ID | G0ZfKfhCE7L |
|---|---|
| InChI | InChI=1S/C13H17NO3/c15-13(16)11-3-5-12(6-4-11)17-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H,15,16) |
| InChIKey | WXHIHVWVXVVGAX-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4Eeu8FthKp |
|---|---|
| Name | Benzoic acid, 4-[2-(1-pyrrolidinyl)ethoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c15-13(16)11-3-5-12(6-4-11)17-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H,15,16) |
| InChIKey | WXHIHVWVXVVGAX-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | OC(C=1C=CC(=CC1)OCCN1CCCC1)=O |