SpectraBase Spectrum ID |
INN4HtaXbdN |
Name |
Aniline, N-(3',3'-diphenylspiro[fluorene-9,2'-oxetan]-4'-ylidene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
449.177964364 u |
Formula |
C33H23NO |
InChI |
InChI=1S/C33H23NO/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25)31(34-26-18-8-3-9-19-26)35-33(32)29-22-12-10-20-27(29)28-21-11-13-23-30(28)33/h1-23H/b34-31- |
InChIKey |
HSDIYKJILMDNGT-NMSHJFGGSA-N |
Molecular Weight |
449.553 g/mol |
SMILES |
C1(\N=C\2C(C3(O2)C2=C(C=CC=C2)C2=C3C=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961501 |