| SpectraBase Spectrum ID |
2770vq1M7Cq |
| Name |
4-Bromoetiochola-3,17-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.119443107 u |
| Formula |
C19H27BrO2 |
| InChI |
InChI=1S/C19H27BrO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,17H,3-10H2,1-2H3/t11-,12-,13-,14?,17?,18+,19-/m0/s1 |
| InChIKey |
LLUSGVKONLVXLC-NJCGZANFSA-N |
| Molecular Weight |
367.327 g/mol |
| SMILES |
C1(CC[C@]2(C(C1Br)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978748 |
