| SpectraBase Spectrum ID |
ErleIsvfNlD |
| Name |
(S)-1-(4-Methoxyphenoxy)pent-4-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-3-4-10(13)9-15-12-7-5-11(14-2)6-8-12/h3,5-8,10,13H,1,4,9H2,2H3/t10-/m0/s1 |
| InChIKey |
XTCMUJMATVNSJE-JTQLQIEISA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C1(OC[C@@](O)(CC=C)[H])=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953905 |
