![N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine](/api/spectrum/H3SqmObeVaO/structure.png?h=300&w=458 "N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine")
| SpectraBase Compound ID | 8oIGo2goesv |
|---|---|
| InChI | InChI=1S/C20H29N3/c21-13-7-15-23(18-20-11-5-2-6-12-20)16-8-14-22-17-19-9-3-1-4-10-19/h1-6,9-12,22H,7-8,13-18,21H2 |
| InChIKey | YTYCZQAHSPZPCO-UHFFFAOYSA-N |
| Mol Weight | 311.47 g/mol |
| Molecular Formula | C20H29N3 |
| Exact Mass | 311.236148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3SqmObeVaO |
|---|---|
| Name | N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.236147946 u |
| Formula | C20H29N3 |
| InChI | InChI=1S/C20H29N3/c21-13-7-15-23(18-20-11-5-2-6-12-20)16-8-14-22-17-19-9-3-1-4-10-19/h1-6,9-12,22H,7-8,13-18,21H2 |
| InChIKey | YTYCZQAHSPZPCO-UHFFFAOYSA-N |
| SMILES | C(N(CCCNCC=1C=CC=CC1)CCCN)C=1C=CC=CC1 |