| SpectraBase Compound ID | 1OMWulJBkXb |
|---|---|
| InChI | InChI=1S/C16H19N/c1-11-5-12(2)8-15(7-11)17-16-9-13(3)6-14(4)10-16/h5-10,17H,1-4H3 |
| InChIKey | VBSGDGQAFLYSEK-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C16H19N |
| Exact Mass | 225.15175 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LvbTOssfHC6 |
|---|---|
| Name | di-3,5-Xylylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.151749616 u |
| Formula | C16H19N |
| InChI | InChI=1S/C16H19N/c1-11-5-12(2)8-15(7-11)17-16-9-13(3)6-14(4)10-16/h5-10,17H,1-4H3 |
| InChIKey | VBSGDGQAFLYSEK-UHFFFAOYSA-N |
| Molecular Weight | 225.335 g/mol |
| SMILES | N(C1=CC(=CC(=C1)C)C)C=1C=C(C=C(C1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.978707 |