| SpectraBase Spectrum ID |
H0MZVa9LwCA |
| Name |
(+)-N,N'-bis(3,5-di-tert-butylsalicylidene)-trans-cyclobutane-1,2-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.387228856 u |
| Formula |
C34H50N2O2 |
| InChI |
InChI=1S/C34H50N2O2/c1-31(2,3)23-15-21(29(37)25(17-23)33(7,8)9)19-35-27-13-14-28(27)36-20-22-16-24(32(4,5)6)18-26(30(22)38)34(10,11)12/h15-20,27-28,37-38H,13-14H2,1-12H3/b35-19+,36-20+/t27-,28-/m1/s1 |
| InChIKey |
BHQFOUZFSXVBBI-QBWWXLMUSA-N |
| Molecular Weight |
518.786 g/mol |
| SMILES |
C1(=C(C(\C=N\[C@]2([C@](\N=C\C=3C(=C(C(C)(C)C)C=C(C3)C(C)(C)C)O)(CC2)[H])[H])=CC(=C1)C(C)(C)C)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97522 |
