| SpectraBase Compound ID | 4quSz2lo9of |
|---|---|
| InChI | InChI=1S/C22H39N/c1-4-6-8-10-14-18-23(19-15-11-9-7-5-2)20-22-17-13-12-16-21(22)3/h12-13,16-17H,4-11,14-15,18-20H2,1-3H3 |
| InChIKey | UPVZDTIVRAABMW-UHFFFAOYSA-N |
| Mol Weight | 317.6 g/mol |
| Molecular Formula | C22H39N |
| Exact Mass | 317.30825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WPzTdey4j |
|---|---|
| Name | 2-Methylbenzylamine, N,N-diheptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.308250260 u |
| Formula | C22H39N |
| InChI | InChI=1S/C22H39N/c1-4-6-8-10-14-18-23(19-15-11-9-7-5-2)20-22-17-13-12-16-21(22)3/h12-13,16-17H,4-11,14-15,18-20H2,1-3H3 |
| InChIKey | UPVZDTIVRAABMW-UHFFFAOYSA-N |
| Molecular Weight | 317.561 g/mol |
| SMILES | C1=CC(C)=C(C=C1)CN(CCCCCCC)CCCCCCC |