| SpectraBase Spectrum ID |
IDn3DEr8Gas |
| Name |
3,3,5,5,7-Pentamethyl-2,3,4,5-tetrahydro-1H-2-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.183049745 u |
| Formula |
C15H23N |
| InChI |
InChI=1S/C15H23N/c1-11-6-7-12-9-16-15(4,5)10-14(2,3)13(12)8-11/h6-8,16H,9-10H2,1-5H3 |
| InChIKey |
JQRAHVAIIBOPAT-UHFFFAOYSA-N |
| Molecular Weight |
217.356 g/mol |
| SMILES |
C1(NCC=2C(C(C1)(C)C)=CC(=CC2)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87201 |
