SpectraBase Spectrum ID |
43Awx6bL73i |
Name |
(R)-2-Methyl-3-(3',4'-methylenedioxyphenyl)-1-propanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
194.094294308 u |
Formula |
C11H14O3 |
InChI |
InChI=1S/C11H14O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1 |
InChIKey |
MXVLFOMMAUNPJY-MRVPVSSYSA-N |
Molecular Weight |
194.230 g/mol |
SMILES |
C12=CC(=CC=C2OCO1)C[C@](CO)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976646 |