| SpectraBase Spectrum ID |
FRpYORB4Ngu |
| Name |
1,1'-bis(4-Methoxyphenyl)hept-2-yn-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.172544630 u |
| Formula |
C21H24O3 |
| InChI |
InChI=1S/C21H24O3/c1-4-5-6-7-16-21(22,17-8-12-19(23-2)13-9-17)18-10-14-20(24-3)15-11-18/h8-15,22H,4-6H2,1-3H3 |
| InChIKey |
VXMROZNSDAQRRG-UHFFFAOYSA-N |
| Molecular Weight |
324.420 g/mol |
| SMILES |
C(C#CCCCC)(O)(C=1C=CC(=CC1)OC)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964655 |
