| SpectraBase Spectrum ID |
AsfzTbmCCpz |
| Name |
[3-Bromanyl-3-(4,4-dimethylcyclohexylidene)prop-1-ynyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.067013612 u |
| Formula |
C17H19Br |
| InChI |
InChI=1S/C17H19Br/c1-17(2)12-10-15(11-13-17)16(18)9-8-14-6-4-3-5-7-14/h3-7H,10-13H2,1-2H3 |
| InChIKey |
GYAOMFVBQUQKOM-UHFFFAOYSA-N |
| SMILES |
C(#CC1=CC=CC=C1)C(=C1CCC(CC1)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80303 |
![[3-Bromanyl-3-(4,4-dimethylcyclohexylidene)prop-1-ynyl]benzene](/api/spectrum/AsfzTbmCCpz/structure.png?h=300&w=458 "[3-Bromanyl-3-(4,4-dimethylcyclohexylidene)prop-1-ynyl]benzene")
