SpectraBase Spectrum ID |
pdd6OVj2iS |
Name |
6-[(2'-Hydroxy-3',5'-bis(T-butyl)phenyl)imino]-dibenzopyrane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.219829176 u |
Formula |
C27H29NO2 |
InChI |
InChI=1S/C27H29NO2/c1-26(2,3)17-15-21(27(4,5)6)24(29)22(16-17)28-25-20-13-8-7-11-18(20)19-12-9-10-14-23(19)30-25/h7-16,29H,1-6H3/b28-25- |
InChIKey |
OTYQCMXPIJFVGZ-FVDSYPCUSA-N |
Molecular Weight |
399.534 g/mol |
SMILES |
C=1(\N=C/2OC3=CC=CC=C3C=3C2=CC=CC3)C(=C(C(C)(C)C)C=C(C1)C(C)(C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947492 |