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1-(4,4-Diethoxybut-2-ynoxymethyl)-2-iodanyl-benzene

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

1-(4,4-Diethoxybut-2-ynoxymethyl)-2-iodanyl-benzene
SpectraBase Compound ID 7aCMNbf0Gbt
InChI InChI=1S/C15H19IO3/c1-3-18-15(19-4-2)10-7-11-17-12-13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,11-12H2,1-2H3
InChIKey LCHDEQNDOMODTA-UHFFFAOYSA-N
Mol Weight 374.22 g/mol
Molecular Formula C15H19IO3
Exact Mass 374.037889 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HALlBocwjM8
Name 1-(4,4-Diethoxybut-2-ynoxymethyl)-2-iodanyl-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.037889469 u
Formula C15H19IO3
InChI InChI=1S/C15H19IO3/c1-3-18-15(19-4-2)10-7-11-17-12-13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,11-12H2,1-2H3
InChIKey LCHDEQNDOMODTA-UHFFFAOYSA-N
Molecular Weight 374.218 g/mol
SMILES C=1(C(=CC=CC1)I)COCC#CC(OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837958