| SpectraBase Spectrum ID |
eFOwVNDtUR |
| Name |
E/Z Mixture 4-[2.2]paracyclophanyl-(1',3',3'-trimethylindolin-2'-ylidenemethyl)ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.224914557 u |
| Formula |
C29H29NO |
| InChI |
InChI=1S/C29H29NO/c1-29(2)25-6-4-5-7-26(25)30(3)28(29)19-27(31)24-18-22-13-12-20-8-10-21(11-9-20)14-16-23(24)17-15-22/h4-11,15,17-19H,12-14,16H2,1-3H3/b28-19- |
| InChIKey |
LMWFLOYZDXSKHK-USHMODERSA-N |
| Molecular Weight |
407.557 g/mol |
| SMILES |
C=12N(\C(C(C1C=CC=C2)(C)C)=C\C(C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85822 |
![E/Z mixture 4-[2.2]paracyclophanyl-(1',3',3'-trimethylindolin-2'-ylidenemethyl)ketone](/api/spectrum/eFOwVNDtUR/structure.png?h=300&w=458 "E/Z mixture 4-[2.2]paracyclophanyl-(1',3',3'-trimethylindolin-2'-ylidenemethyl)ketone")
