SpectraBase Spectrum ID |
7z2UcsrICHx |
Name |
Etafenone-m @P730 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.104858991 u |
Formula |
C16H16O4 |
InChI |
InChI=1S/C16H16O4/c1-20-16-9-7-11(10-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-5,7,9-10,17,19H,6,8H2,1H3 |
InChIKey |
XEDHSMBJTTVRAU-UHFFFAOYSA-N |
Molecular Weight |
272.300 g/mol |
SMILES |
C=1C=C(C(CCC2=CC=C(C(=C2)O)OC)=O)C(O)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850036 |