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25I-Nbome

View entire compound with spectra: 1 FTIR, 1 Raman, 5 MS (GC), and 2 MS (LC)

25I-Nbome
SpectraBase Compound ID 7T6mFEkidLq
InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey ZFUOLNAKPBFDIJ-UHFFFAOYSA-N
Mol Weight 427.28 g/mol
Molecular Formula C18H22INO3
Exact Mass 427.064439 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 64rBnDh3PXX
Name 25I-Nbome
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.064438569 u
Formula C18H22INO3
InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey ZFUOLNAKPBFDIJ-UHFFFAOYSA-N
Molecular Weight 427.282 g/mol
SMILES N(CCC=1C=C(C(=CC1OC)I)OC)CC=1C(=CC=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.940145