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 |