| SpectraBase Spectrum ID |
1bXVgfHAJro |
| Name |
(3R,3S)-2,3-o-Isopropylidenedioxy-4-(3,4-methylenedioxy)phenyl-4-pentene-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c1-9(14-13(7-16)19-15(2,3)20-14)10-4-5-11-12(6-10)18-8-17-11/h4-6,13-14,16H,1,7-8H2,2-3H3/t13-,14+/m1/s1 |
| InChIKey |
RMKIANGFZUNTAN-KGLIPLIRSA-N |
| SMILES |
[C@]1(C(C=2C=C3OCOC3=CC2)=C)(OC(C)(C)O[C@@]1(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959998 |
