SpectraBase Spectrum ID |
GQ3C203HJua |
Name |
2(5H)-Furanone, 5,5-bis([acetyloxy)phenylmethyl]-4-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
410.136553041 u |
Formula |
C23H22O7 |
InChI |
InChI=1S/C23H22O7/c1-14-19(26)23(30-22(14)27,20(28-15(2)24)17-10-6-4-7-11-17)21(29-16(3)25)18-12-8-5-9-13-18/h4-14,20-21H,1-3H3 |
InChIKey |
FDWKVTQPKRWMRY-UHFFFAOYSA-N |
Molecular Weight |
410.422 g/mol |
SMILES |
C1(C(C(C)C(O1)=O)=O)(C(OC(=O)C)C1=CC=CC=C1)C(OC(=O)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968481 |