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1,3-Dithiane, 2-(5-bromopentyl)-2-(phenylmethyl)-
SpectraBase Compound ID 9mEqq5Nv0J4
InChI InChI=1S/C16H23BrS2/c17-11-6-2-5-10-16(18-12-7-13-19-16)14-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2
InChIKey FMTCQIWTELXBPK-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C16H23BrS2
Exact Mass 358.042456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K45fatIX8b
Name 1,3-Dithiane, 2-(5-bromopentyl)-2-(phenylmethyl)-
Alternate Name(s) 2-(5-bromanylpentyl)-2-(phenylmethyl)-1,3-dithiane 2-(5-bromopentyl)-2-(phenylmethyl)-1,3-dithiane 2-Benzyl-2-(5-bromopentyl)-1,3-dithiane
CAS Registry Number 108296-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrS2
InChI InChI=1S/C16H23BrS2/c17-11-6-2-5-10-16(18-12-7-13-19-16)14-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2
InChIKey FMTCQIWTELXBPK-UHFFFAOYSA-N
Molecular Weight 359.384 g/mol
SMILES C1(SCCCS1)(CCCCCBr)Cc1ccccc1
SPLASH splash10-014l-9640000000-9818024933dcfa15b5e2
Source of Spectrum Y4-84-15-12
Wiley ID 1550064