SpectraBase Spectrum ID |
CstnXs7PVoz |
Name |
9-Bromo-2,2,6,6-tetramethyl-4-nonen-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.093228360 u |
Formula |
C13H23BrO |
InChI |
InChI=1S/C13H23BrO/c1-12(2,3)11(15)7-9-13(4,5)8-6-10-14/h7,9H,6,8,10H2,1-5H3/b9-7+ |
InChIKey |
FHBFXIRYIRRHCN-VQHVLOKHSA-N |
Molecular Weight |
275.230 g/mol |
SMILES |
C(\C=C\C(CCCBr)(C)C)(C(C)(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961357 |