SpectraBase Spectrum ID |
FYR1RurSLTc |
Name |
2-(3-Phenoxy-benzylidene)-1,6,9-trioxa-spiro[4,5]dec-3-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.120509056 u |
Formula |
C20H18O4 |
InChI |
InChI=1S/C20H18O4/c1-2-6-17(7-3-1)23-18-8-4-5-16(13-18)14-19-9-10-20(24-19)15-21-11-12-22-20/h1-10,13-14H,11-12,15H2/b19-14+ |
InChIKey |
QTHMGHWHMHCWEA-XMHGGMMESA-N |
Molecular Weight |
322.360 g/mol |
SMILES |
C=1\C(OC2(C1)OCCOC2)=C/C=1C=C(C=CC1)OC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920751 |