| SpectraBase Spectrum ID |
DJIuI3Rqr0t |
| Name |
4-Hydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)benzyl alcohol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-9(2)4-6-11-10(8-14)5-7-12(15)13(11)16-3/h4-5,7,14-15H,6,8H2,1-3H3 |
| InChIKey |
XZCHQSNHTXQPBT-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C1(=C(C(O)=CC=C1CO)OC)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84764 |
