SpectraBase Spectrum ID |
2kmZB3yFMsj |
Name |
Benzeneacetic acid, .alpha.-oxo-, tetrahydro-4,4,5,5-tetramethyl-2-oxo-3-phenyl-3-furanyl ester, (.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
366.146723803 u |
Formula |
C22H22O5 |
InChI |
InChI=1S/C22H22O5/c1-20(2)21(3,4)27-19(25)22(20,16-13-9-6-10-14-16)26-18(24)17(23)15-11-7-5-8-12-15/h5-14H,1-4H3 |
InChIKey |
GBJXXSCZYWWXQF-UHFFFAOYSA-N |
Molecular Weight |
366.413 g/mol |
SMILES |
C1(C(OC(C1(C)C)(C)C)=O)(OC(C(=O)C=1C=CC=CC1)=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94824 |