SpectraBase Spectrum ID |
2fAtnDXjBmk |
Name |
2-Cyano-8-methoxy-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
343.193614428 u |
Formula |
C24H25NO |
InChI |
InChI=1S/C24H25NO/c1-4-16-11-18-10-15(14-25)6-8-21(18)23-17(5-2)12-19-13-20(26-3)7-9-22(19)24(16)23/h6-10,13,16-17H,4-5,11-12H2,1-3H3 |
InChIKey |
MXXWXQJAVZWWCM-UHFFFAOYSA-N |
Molecular Weight |
343.470 g/mol |
SMILES |
C12=C(C=3C=CC(=CC3CC2CC)OC)C(CC)CC=2C1=CC=C(C#N)C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917468 |