| SpectraBase Spectrum ID |
1qGDTUvkZX1 |
| Name |
Trans-N,N-dibenzyl-2-(3',5'-di-tert-butylphenyl)cyclopropylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.308250260 u |
| Formula |
C31H39N |
| InChI |
InChI=1S/C31H39N/c1-30(2,3)26-17-25(18-27(19-26)31(4,5)6)28-20-29(28)32(21-23-13-9-7-10-14-23)22-24-15-11-8-12-16-24/h7-19,28-29H,20-22H2,1-6H3/t28-,29+/m0/s1 |
| InChIKey |
CMHBSRMRSDGZMB-URLMMPGGSA-N |
| Molecular Weight |
425.660 g/mol |
| SMILES |
[C@]1([C@](C=2C=C(C(C)(C)C)C=C(C2)C(C)(C)C)(C1)[H])(N(CC=1C=CC=CC1)CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967804 |
