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1-[1-(2-Iodobenzyloxy)-2-methylenepropyl]cyclohex-3-ene

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

1-[1-(2-Iodobenzyloxy)-2-methylenepropyl]cyclohex-3-ene
SpectraBase Compound ID 9etl5oWwmzo
InChI InChI=1S/C17H21IO/c1-13(2)17(14-8-4-3-5-9-14)19-12-15-10-6-7-11-16(15)18/h3-4,6-7,10-11,14,17H,1,5,8-9,12H2,2H3
InChIKey AIJWBEHJDWARHM-UHFFFAOYSA-N
Mol Weight 368.26 g/mol
Molecular Formula C17H21IO
Exact Mass 368.06371 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 26Alk9ktNo5
Name 1-[1-(2-Iodobenzyloxy)-2-methylenepropyl]cyclohex-3-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.063710295 u
Formula C17H21IO
InChI InChI=1S/C17H21IO/c1-13(2)17(14-8-4-3-5-9-14)19-12-15-10-6-7-11-16(15)18/h3-4,6-7,10-11,14,17H,1,5,8-9,12H2,2H3
InChIKey AIJWBEHJDWARHM-UHFFFAOYSA-N
Molecular Weight 368.258 g/mol
SMILES C(OCC=1C(I)=CC=CC1)(C(=C)C)C1CC=CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870154