For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(4-t-Butylphenyl)-8-iodohexahydroindoline

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

3-(4-t-Butylphenyl)-8-iodohexahydroindoline
SpectraBase Compound ID Kxue6Ta2Mxi
InChI InChI=1S/C18H26IN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h7-10,14-17,20H,4-6,11H2,1-3H3/t14-,15?,16+,17+/m1/s1
InChIKey DBBUPOLUGXIZCO-XOJKTNQZSA-N
Mol Weight 383.32 g/mol
Molecular Formula C18H26IN
Exact Mass 383.110995 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C26ku7ThlsE
Name 3-(4-T-Butylphenyl)-8-iodohexahydroindoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.110994841 u
Formula C18H26IN
InChI InChI=1S/C18H26IN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h7-10,14-17,20H,4-6,11H2,1-3H3/t14-,15?,16+,17+/m1/s1
InChIKey DBBUPOLUGXIZCO-XOJKTNQZSA-N
Molecular Weight 383.317 g/mol
SMILES [C@]12(NCC([C@]2(CCC[C@@]1(I)[H])[H])C=1C=CC(C(C)(C)C)=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868905