SpectraBase Spectrum ID |
2eKZZC048Ad |
Name |
Methanone, [4-(4-hydroxy-3-methyl-4-phenylbutyl)phenyl](1-methylcyclopropyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.193280075 u |
Formula |
C22H26O2 |
InChI |
InChI=1S/C22H26O2/c1-16(20(23)18-6-4-3-5-7-18)8-9-17-10-12-19(13-11-17)21(24)22(2)14-15-22/h3-7,10-13,16,20,23H,8-9,14-15H2,1-2H3 |
InChIKey |
XUJLEJCTRVTFAY-UHFFFAOYSA-N |
Molecular Weight |
322.448 g/mol |
SMILES |
C1(C(C=2C=CC(=CC2)CCC(C(C2=CC=CC=C2)O)C)=O)(CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892136 |