| SpectraBase Spectrum ID |
AVq8TPa0xUw |
| Name |
1-Isopropyl-2-((4-methoxyphenyl)ethynyl)benzene |
| 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/c1-14(2)18-7-5-4-6-16(18)11-8-15-9-12-17(19-3)13-10-15/h4-7,9-10,12-14H,1-3H3 |
| InChIKey |
IUWCTOWTADGUKY-UHFFFAOYSA-N |
| Molecular Weight |
250.341 g/mol |
| SMILES |
C=1C=CC(C#CC2=CC=C(C=C2)OC)=C(C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888777 |
