| SpectraBase Spectrum ID |
3M4bmPeAQja |
| Name |
[(1Z)-2-Bromanyl-3-methyl-buta-1,3-dienyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.004413354 u |
| Formula |
C11H11Br |
| InChI |
InChI=1S/C11H11Br/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-8H,1H2,2H3/b11-8- |
| InChIKey |
PUMXTRFHIFSBGW-FLIBITNWSA-N |
| Molecular Weight |
223.113 g/mol |
| SMILES |
C=1(\C=C\(C(=C)C)Br)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943993 |
![[(1Z)-2-bromanyl-3-methyl-buta-1,3-dienyl]benzene](/api/spectrum/3M4bmPeAQja/structure.png?h=300&w=458 "[(1Z)-2-bromanyl-3-methyl-buta-1,3-dienyl]benzene")
