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2-(1-benzyl-1,2-dimethyl-propyl)-5-chloro-thiophene
SpectraBase Compound ID E6UCIFxWnlL
InChI InChI=1S/C16H19ClS/c1-12(2)16(3,14-9-10-15(17)18-14)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKey HZBAGWKRIOWBKI-UHFFFAOYSA-N
Mol Weight 278.84 g/mol
Molecular Formula C16H19ClS
Exact Mass 278.089599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GVu60g6NIB
Name 2-(1-benzyl-1,2-dimethyl-propyl)-5-chloro-thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClS
InChI InChI=1S/C16H19ClS/c1-12(2)16(3,14-9-10-15(17)18-14)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKey HZBAGWKRIOWBKI-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 278.841 g/mol
SMILES c1cc(ccc1)CC(c1ccc(s1)Cl)(C(C)C)C
SPLASH splash10-0a4i-0490000000-de84cb2cd650f446d49e
Sample Comments dr = 4:1
Source of Spectrum ACI-60-SM59-59-2
Wiley ID 1880294