SpectraBase Spectrum ID |
7CowxF6U8IY |
Name |
2,2-Dimethyl-1,2-{N,N'-bis[2-hydroxy-3,5-di-tert-butylbenzyl]iminomethyl}cyclopropane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
560.434179049 u |
Formula |
C37H56N2O2 |
InChI |
InChI=1S/C37H56N2O2/c1-33(2,3)25-15-23(31(40)27(17-25)35(7,8)9)19-38-21-29-30(37(29,13)14)22-39-20-24-16-26(34(4,5)6)18-28(32(24)41)36(10,11)12/h15-20,29-30,40-41H,21-22H2,1-14H3/b38-19-,39-20+/t29-,30-/m1/s1 |
InChIKey |
GMIYYOAUDOTNKS-UDAYOBCLSA-N |
Molecular Weight |
560.867 g/mol |
SMILES |
C1([C@](C\N=C\C2=C(C(C(C)(C)C)=CC(=C2)C(C)(C)C)O)([C@]1(C\N=C/C=1C(=C(C(C)(C)C)C=C(C1)C(C)(C)C)O)[H])[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949295 |