| SpectraBase Spectrum ID |
2dK6tUnUrlN |
| Name |
Cycloisolongifolen, 7-bromo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.098313741 u |
| Formula |
C15H23Br |
| InChI |
InChI=1S/C15H23Br/c1-12(2)6-5-7-14-10-8-9(13(14,3)4)11(16)15(10,12)14/h9-11H,5-8H2,1-4H3/t9-,10-,11?,14?,15?/m0/s1 |
| InChIKey |
WSBHYHMLKKBHOK-HHRYBUHXSA-N |
| SMILES |
C1(C23C4([C@]2(C[C@]1(C4Br)[H])[H])C(C)(C)CCC3)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947992 |
