| SpectraBase Spectrum ID |
7I7WXBerR1V |
| Name |
Azetidine, 1-benzyl-3-tert-butyl-2,2-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.198699809 u |
| Formula |
C16H25N |
| InChI |
InChI=1S/C16H25N/c1-15(2,3)14-12-17(16(14,4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3 |
| InChIKey |
FMCVPLJPSGGKLH-UHFFFAOYSA-N |
| Molecular Weight |
231.383 g/mol |
| SMILES |
C(N1C(C)(C)C(C1)C(C)(C)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886844 |
