| SpectraBase Compound ID | CwnkYNQIbjg |
|---|---|
| InChI | InChI=1S/C22H35NO3/c1-4-6-8-9-10-11-17-26-21(24)18-23(3)22(25)20-15-13-19(14-16-20)12-7-5-2/h13-16H,4-12,17-18H2,1-3H3 |
| InChIKey | IAJWJPJNPTZJSL-UHFFFAOYSA-N |
| Mol Weight | 361.5 g/mol |
| Molecular Formula | C22H35NO3 |
| Exact Mass | 361.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZpgNkgGfdq |
|---|---|
| Name | Sarcosine, N-(4-butylbenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.261693988 u |
| Formula | C22H35NO3 |
| InChI | InChI=1S/C22H35NO3/c1-4-6-8-9-10-11-17-26-21(24)18-23(3)22(25)20-15-13-19(14-16-20)12-7-5-2/h13-16H,4-12,17-18H2,1-3H3 |
| InChIKey | IAJWJPJNPTZJSL-UHFFFAOYSA-N |
| Molecular Weight | 361.526 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC(OCCCCCCCC)=O)C)=O)CCCC |