SpectraBase Spectrum ID |
DTICvL7fvQO |
Name |
6,7-Isopropylidenedioxy-3-(4'-methoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.136159120 u |
Formula |
C17H20O4 |
InChI |
InChI=1S/C17H20O4/c1-17(2)20-15-13-8-11(9-14(19-13)16(15)21-17)10-4-6-12(18-3)7-5-10/h4-8,13-16H,9H2,1-3H3 |
InChIKey |
NWPFPUGQZSPPJD-UHFFFAOYSA-N |
SMILES |
C12C(C3CC(=CC2O3)C2=CC=C(C=C2)OC)OC(O1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834653 |