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2-(6-Iodo-1,3,5-trimethylhexyloxy)tetrahydropyran isomer

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

2-(6-Iodo-1,3,5-trimethylhexyloxy)tetrahydropyran isomer
SpectraBase Compound ID 9BYLkltHP79
InChI InChI=1S/C14H27IO2/c1-11(8-12(2)10-15)9-13(3)17-14-6-4-5-7-16-14/h11-14H,4-10H2,1-3H3/t11-,12-,13-,14?/m0/s1
InChIKey FUHMZVNVTBBTHM-AIOZOAKWSA-N
Mol Weight 354.27 g/mol
Molecular Formula C14H27IO2
Exact Mass 354.105575 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GAmeSABVsHl
Name 2-(6-Iodo-1,3,5-trimethylhexyloxy)tetrahydropyran isomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.105575107 u
Formula C14H27IO2
InChI InChI=1S/C14H27IO2/c1-11(8-12(2)10-15)9-13(3)17-14-6-4-5-7-16-14/h11-14H,4-10H2,1-3H3/t11-,12-,13-,14?/m0/s1
InChIKey FUHMZVNVTBBTHM-AIOZOAKWSA-N
Molecular Weight 354.272 g/mol
SMILES C1(OCCCC1)O[C@](C[C@](C[C@@](CI)(C)[H])(C)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938055