| SpectraBase Spectrum ID |
Ad8EkB90Xh6 |
| Name |
1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.104465070 u |
| Formula |
C18H14O |
| InChI |
InChI=1S/C18H14O/c1-2-18(19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h2-7,9-10,12,14H,1,11H2 |
| InChIKey |
DNVGJWDFYLNDDI-UHFFFAOYSA-N |
| Molecular Weight |
246.309 g/mol |
| SMILES |
C(=O)(C1=C(C#CCC2=CC=CC=C2)C=CC=C1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893306 |
![1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-one](/api/spectrum/Ad8EkB90Xh6/structure.png?h=300&w=458 "1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-one")
