SpectraBase Spectrum ID |
Lm4BNjeV307 |
Name |
(2S)-1-p-Anisyloxypent-4-en-2-ol |
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/c1-3-4-12(14)10-16-9-11-5-7-13(15-2)8-6-11/h3,5-8,12,14H,1,4,9-10H2,2H3/t12-/m0/s1 |
InChIKey |
SDQBGVNCTMKKOY-LBPRGKRZSA-N |
Molecular Weight |
222.284 g/mol |
SMILES |
C(=C)C[C@](O)(COCC=1C=CC(=CC1)OC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975423 |