| SpectraBase Spectrum ID |
85YA7eUBL1L |
| Name |
1-Methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.083729624 u |
| Formula |
C12H12O2 |
| InChI |
InChI=1S/C12H12O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h4,6-10H,1-2H3/b10-4- |
| InChIKey |
LVXVFZDOXLJEKW-WMZJFQQLSA-N |
| Molecular Weight |
188.226 g/mol |
| SMILES |
C(#CC1=CC=C(C=C1)OC)\C=C/OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932334 |
![1-Methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene](/api/spectrum/85YA7eUBL1L/structure.png?h=300&w=458 "1-Methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene")
