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25I-Nb3Ome hydrochloride

View entire compound with spectra: 1 Raman

25I-Nb3Ome hydrochloride
SpectraBase Compound ID r6boUeTsaM
InChI InChI=1S/C18H22INO3.ClH/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2;/h4-6,9-11,20H,7-8,12H2,1-3H3;1H
InChIKey NFHNTZHBZCDGKV-UHFFFAOYSA-N
Mol Weight 463.74 g/mol
Molecular Formula C18H23ClINO3
Exact Mass 463.041116 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4PStGB9nm4K
Name 25I-Nb3Ome hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.041116302 u
Formula C18H23ClINO3
InChI InChI=1S/C18H22INO3.ClH/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2;/h4-6,9-11,20H,7-8,12H2,1-3H3;1H
InChIKey NFHNTZHBZCDGKV-UHFFFAOYSA-N
Molecular Weight 463.743 g/mol
SMILES Cl.N(CCC1=C(C=C(C(=C1)OC)I)OC)CC=1C=C(C=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.905414