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(S)-2-(Iodomethyl)-4,4-dimethyl-2-phenyltetrahydrofuran
SpectraBase Compound ID BkHQkzjEdVu
InChI InChI=1S/C13H17IO/c1-12(2)8-13(9-14,15-10-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3/t13-/m1/s1
InChIKey SPRAEQPGXOEJTF-CYBMUJFWSA-N
Mol Weight 316.18 g/mol
Molecular Formula C13H17IO
Exact Mass 316.03241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ0DYFV37cC
Name (S)-2-(Iodomethyl)-4,4-dimethyl-2-phenyltetrahydrofuran
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17IO
InChI InChI=1S/C13H17IO/c1-12(2)8-13(9-14,15-10-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3/t13-/m1/s1
InChIKey SPRAEQPGXOEJTF-CYBMUJFWSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202100605
Molecular Weight 316.182 g/mol
Optical Rotation [a]D23 = +3.6 (c = 1.4, CHCl3)
SMILES c1c(cccc1)[C@]1(OCC(C1)(C)C)CI
SPLASH splash10-056r-2900000000-b63dae8b74be7202bbda
Sample Comments er = 61:39
Source of Spectrum ASC-363-SM19-2c
Wiley ID 1851276