| SpectraBase Spectrum ID |
8frir4oRigJ |
| Name |
(E/Z)-2-Tert-6-[(E,E,E)-6-(3/4-tert-butylcyclopentadienyl)-1,3,5-hexatrienyl]pentafulvene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.250401030 u |
| Formula |
C25H32 |
| InChI |
InChI=1S/C25H32/c1-24(2,3)22-16-14-20(18-22)12-10-8-7-9-11-13-21-15-17-23(19-21)25(4,5)6/h7-18H,19H2,1-6H3/b9-7+,10-8+,13-11+,20-12- |
| InChIKey |
JENVHWCNBSCSRK-JBCDJZIUSA-N |
| Molecular Weight |
332.531 g/mol |
| SMILES |
C1(=C\C(=C/C=C/C=C/C=C/C2=CC=C(C2)C(C)(C)C)C=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880661 |
![(E/Z)-2-tert-6-[(E,E,E)-6-(3/4-tert-butylcyclopentadienyl)-1,3,5-hexatrienyl]pentafulvene](/api/spectrum/8frir4oRigJ/structure.png?h=300&w=458 "(E/Z)-2-tert-6-[(E,E,E)-6-(3/4-tert-butylcyclopentadienyl)-1,3,5-hexatrienyl]pentafulvene")
