SpectraBase Spectrum ID |
CvtWJjobJVi |
Name |
7H-Oxireno[B][1]benzopyran-7-one, 1A,7A-dihydro-4-methoxy-7A-(4-methoxyphenyl)-, (.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.084123546 u |
Formula |
C17H14O5 |
InChI |
InChI=1S/C17H14O5/c1-19-11-5-3-10(4-6-11)17-15(18)13-8-7-12(20-2)9-14(13)21-16(17)22-17/h3-9,16H,1-2H3 |
InChIKey |
IHFWHJATNJEOII-UHFFFAOYSA-N |
Molecular Weight |
298.294 g/mol |
SMILES |
C12(C(OC=3C(C2=O)=CC=C(OC)C3)O1)C=1C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960634 |