| SpectraBase Spectrum ID |
E8jFjJPs06E |
| Name |
Benzenemethanol, 4-methoxy-3-(3-methyl-3-buten-1-ynyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-10(2)4-6-12-8-11(9-14)5-7-13(12)15-3/h5,7-8,14H,1,9H2,2-3H3 |
| InChIKey |
DHEWMSAMJLJBQB-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C(#CC(=C)C)C=1C(=CC=C(C1)CO)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853372 |
