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Meso-1,3-bis[(ethoxycarbonyl)methoxy]-1,3-diphenylindan-2-one
SpectraBase Compound ID ACMKeltThdp
InChI InChI=1S/C29H28O7/c1-3-33-25(30)19-35-28(21-13-7-5-8-14-21)23-17-11-12-18-24(23)29(27(28)32,22-15-9-6-10-16-22)36-20-26(31)34-4-2/h5-18H,3-4,19-20H2,1-2H3/t28-,29+
InChIKey FVYZHROHOQHTAA-ISILISOKSA-N
Mol Weight 488.54 g/mol
Molecular Formula C29H28O7
Exact Mass 488.183503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BzbpV5nTy58
Name Meso-1,3-bis[(ethoxycarbonyl)methoxy]-1,3-diphenylindan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.183503235 u
Formula C29H28O7
InChI InChI=1S/C29H28O7/c1-3-33-25(30)19-35-28(21-13-7-5-8-14-21)23-17-11-12-18-24(23)29(27(28)32,22-15-9-6-10-16-22)36-20-26(31)34-4-2/h5-18H,3-4,19-20H2,1-2H3/t28-,29+
InChIKey FVYZHROHOQHTAA-ISILISOKSA-N
Molecular Weight 488.536 g/mol
SMILES C1([C@@](C=2C=CC=CC2[C@@]1(OCC(=O)OCC)C1=CC=CC=C1)(OCC(=O)OCC)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888179