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25I-Nb3Ome ac P1616

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

25I-Nb3Ome ac P1616
SpectraBase Compound ID 2d7TmPmsVul
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-6-5-7-17(10-15)24-2)9-8-16-11-20(26-4)18(21)12-19(16)25-3/h5-7,10-12H,8-9,13H2,1-4H3
InChIKey XOBIUTARSYJQSY-UHFFFAOYSA-N
Mol Weight 469.32 g/mol
Molecular Formula C20H24INO4
Exact Mass 469.075003 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1komYQ2RYA7
Name 25I-Nb3Ome ac P1616
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.075003253 u
Formula C20H24INO4
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-6-5-7-17(10-15)24-2)9-8-16-11-20(26-4)18(21)12-19(16)25-3/h5-7,10-12H,8-9,13H2,1-4H3
InChIKey XOBIUTARSYJQSY-UHFFFAOYSA-N
Molecular Weight 469.319 g/mol
SMILES C1=C(I)C(=CC(=C1OC)CCN(CC1=CC(=CC=C1)OC)C(=O)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912353