| SpectraBase Spectrum ID |
9bHQ8docSEQ |
| Name |
(E)-1-(2-Styrylphenyl)butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.135765199 u |
| Formula |
C18H18O |
| InChI |
InChI=1S/C18H18O/c1-2-8-18(19)17-12-7-6-11-16(17)14-13-15-9-4-3-5-10-15/h3-7,9-14H,2,8H2,1H3/b14-13+ |
| InChIKey |
USNVLNOSRULGMP-BUHFOSPRSA-N |
| Molecular Weight |
250.341 g/mol |
| SMILES |
C1(\C=C\C=2C(C(=O)CCC)=CC=CC2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945993 |
