| SpectraBase Compound ID | LXeZAnc9ape |
|---|---|
| InChI | InChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3 |
| InChIKey | DBQUMXBQDKCIAJ-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C16H19NO |
| Exact Mass | 241.146664 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5oOash5ksbL |
|---|---|
| Name | nrg-3 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.146664235 u |
| Formula | C16H19NO |
| InChI | InChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3 |
| InChIKey | DBQUMXBQDKCIAJ-UHFFFAOYSA-N |
| Molecular Weight | 241.334 g/mol |
| SMILES | N(C(C(C=1C=CC2=CC=CC=C2C1)=O)CCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.891997 |