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2-[3-[2,4-dichloro-6-(cyclopropylidenemethyl)phenoxy]prop-1-ynyl]thiophene
SpectraBase Compound ID BCXRBAkhdn1
InChI InChI=1S/C17H12Cl2OS/c18-14-10-13(9-12-5-6-12)17(16(19)11-14)20-7-1-3-15-4-2-8-21-15/h2,4,8-11H,5-7H2
InChIKey XGNARQHLSZPVMX-UHFFFAOYSA-N
Mol Weight 335.25 g/mol
Molecular Formula C17H12Cl2OS
Exact Mass 333.998592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIVzhLXn00j
Name 2-[3-[2,4-dichloro-6-(cyclopropylidenemethyl)phenoxy]prop-1-ynyl]thiophene
Appearance White solid
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Exact Mass 333.998591579 u
Formula C17H12Cl2OS
InChI InChI=1S/C17H12Cl2OS/c18-14-10-13(9-12-5-6-12)17(16(19)11-14)20-7-1-3-15-4-2-8-21-15/h2,4,8-11H,5-7H2
InChIKey XGNARQHLSZPVMX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Molecular Weight 335.248 g/mol
Reported Formula C17H12OSCl2
SMILES C1=C(C=C(C(=C1C=C1CC1)OCC#CC=1SC=CC1)Cl)Cl
SPLASH splash10-0019-0009000000-afdc32f37709f3e57a36
Source of Spectrum QE-23-SM53-3m (DOI: 10.1002/chem.201700600)
Wiley ID 1905493