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2(5H)-Furanone, 5,5-bis([acetyloxy)phenylmethyl]-4-methoxy-
SpectraBase Compound ID 3d0mG4Zz0Es
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
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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