| SpectraBase Compound ID | 2zXkC12XBKo |
|---|---|
| InChI | InChI=1S/C23H41N/c1-3-5-7-9-14-20-24(21-15-10-8-6-4-2)22-16-19-23-17-12-11-13-18-23/h11-13,17-18H,3-10,14-16,19-22H2,1-2H3 |
| InChIKey | XYOUXIQWDHRZBG-UHFFFAOYSA-N |
| Mol Weight | 331.6 g/mol |
| Molecular Formula | C23H41N |
| Exact Mass | 331.3239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQKbCAuGT54 |
|---|---|
| Name | 3-Phenylpropylamine, N,N-diheptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.323900324 u |
| Formula | C23H41N |
| InChI | InChI=1S/C23H41N/c1-3-5-7-9-14-20-24(21-15-10-8-6-4-2)22-16-19-23-17-12-11-13-18-23/h11-13,17-18H,3-10,14-16,19-22H2,1-2H3 |
| InChIKey | XYOUXIQWDHRZBG-UHFFFAOYSA-N |
| Molecular Weight | 331.588 g/mol |
| SMILES | C1=CC=C(C=C1)CCCN(CCCCCCC)CCCCCCC |