| SpectraBase Spectrum ID |
J7Rh2pKdlar |
| Name |
1H-Indole, 6-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.198699809 u |
| Formula |
C20H25N |
| InChI |
InChI=1S/C20H25N/c1-19(2,3)15-11-12-16-17(13-15)21-18(20(16,4)5)14-9-7-6-8-10-14/h6-13,18,21H,1-5H3 |
| InChIKey |
SCQKHUIUOGOCAN-UHFFFAOYSA-N |
| Molecular Weight |
279.427 g/mol |
| SMILES |
C1=2NC(C(C2C=CC(=C1)C(C)(C)C)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956522 |
