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1-[(3-Iodobut-3-enyloxy)methyl]-4-methoxybenzene

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

1-[(3-Iodobut-3-enyloxy)methyl]-4-methoxybenzene
SpectraBase Compound ID 1bfXY50SS4Q
InChI InChI=1S/C12H15IO2/c1-10(13)7-8-15-9-11-3-5-12(14-2)6-4-11/h3-6H,1,7-9H2,2H3
InChIKey RKTXYXZIJYBTPO-UHFFFAOYSA-N
Mol Weight 318.15 g/mol
Molecular Formula C12H15IO2
Exact Mass 318.011675 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qfuS1MrkUS
Name 1-[(3-Iodobut-3-enyloxy)methyl]-4-methoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.011674721 u
Formula C12H15IO2
InChI InChI=1S/C12H15IO2/c1-10(13)7-8-15-9-11-3-5-12(14-2)6-4-11/h3-6H,1,7-9H2,2H3
InChIKey RKTXYXZIJYBTPO-UHFFFAOYSA-N
Molecular Weight 318.154 g/mol
SMILES C(=C)(I)CCOCC=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948037