SpectraBase Spectrum ID |
288akxN2MSZ |
Name |
2'-Hydroxy-5'-isopropyl-4'-methylheptanophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.193280075 u |
Formula |
C17H26O2 |
InChI |
InChI=1S/C17H26O2/c1-5-6-7-8-9-16(18)15-11-14(12(2)3)13(4)10-17(15)19/h10-12,19H,5-9H2,1-4H3 |
InChIKey |
IHVYSKKRDQOEAA-UHFFFAOYSA-N |
Molecular Weight |
262.393 g/mol |
SMILES |
OC1=C(C=C(C(=C1)C)C(C)C)C(CCCCCC)=O |
Spectrum/Structure Validation Score (Raman) |
0.866714 |