SpectraBase Spectrum ID |
KfHd1lchKiM |
Name |
Succinic acid, hex-4-yn-3-yl 4-biphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
350.151809184 u |
Formula |
C22H22O4 |
InChI |
InChI=1S/C22H22O4/c1-3-8-19(4-2)25-21(23)15-16-22(24)26-20-13-11-18(12-14-20)17-9-6-5-7-10-17/h5-7,9-14,19H,4,15-16H2,1-2H3 |
InChIKey |
YNNYSZLVZDGNEV-UHFFFAOYSA-N |
Molecular Weight |
350.414 g/mol |
SMILES |
C(CC(OC(CC)C#CC)=O)C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897709 |