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1,3-Dioxolane, 2-(7-bromoheptyl)-2-hexyl-

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

1,3-Dioxolane, 2-(7-bromoheptyl)-2-hexyl-
SpectraBase Compound ID DGg14ZuVCQ3
InChI InChI=1S/C16H31BrO2/c1-2-3-4-8-11-16(18-14-15-19-16)12-9-6-5-7-10-13-17/h2-15H2,1H3
InChIKey PDMQXMCQRDHXAH-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C16H31BrO2
Exact Mass 334.150743 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2lEOHuq8JXf
Name 1,3-Dioxolane, 2-(7-bromoheptyl)-2-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.150743236 u
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-2-3-4-8-11-16(18-14-15-19-16)12-9-6-5-7-10-13-17/h2-15H2,1H3
InChIKey PDMQXMCQRDHXAH-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES C1(OCCO1)(CCCCCCCBr)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819873