| SpectraBase Spectrum ID |
Cvqu2Dni85T |
| Name |
(E)-4,4'-(but-1-ene-1,3-Diyl)bis(methylbenzene) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.156500644 u |
| Formula |
C18H20 |
| InChI |
InChI=1S/C18H20/c1-14-4-9-17(10-5-14)11-8-16(3)18-12-6-15(2)7-13-18/h4-13,16H,1-3H3/b11-8+ |
| InChIKey |
DRIJGEJOLOPSGI-DHZHZOJOSA-N |
| Molecular Weight |
236.358 g/mol |
| SMILES |
C=1C=C(C=CC1C)C(C)\C=C\C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905872 |
