| SpectraBase Spectrum ID |
Bp2RqbzGQ05 |
| Name |
(1S,3R)-N1-(2-Isopropylphenyl)-2,2,3-trimethylcyclopentane-1,3-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.225248910 u |
| Formula |
C17H28N2 |
| InChI |
InChI=1S/C17H28N2/c1-12(2)13-8-6-7-9-14(13)19-15-10-11-17(5,18)16(15,3)4/h6-9,12,15,19H,10-11,18H2,1-5H3/t15-,17+/m0/s1 |
| InChIKey |
VMYCFLGHMQDZED-DOTOQJQBSA-N |
| Molecular Weight |
260.425 g/mol |
| SMILES |
[C@@]1(C([C@@](CC1)(N)C)(C)C)(NC=1C(=CC=CC1)C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952029 |
