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4-Chloro-5-iodo-6-(prop-1-ynyl)thieno[2,3-d]pyrimidine
SpectraBase Compound ID IYEVRNyhgPE
InChI InChI=1S/C9H4ClIN2S/c1-2-3-5-7(11)6-8(10)12-4-13-9(6)14-5/h4H,1H3
InChIKey PSGQETMBCHVSDW-UHFFFAOYSA-N
Mol Weight 334.56 g/mol
Molecular Formula C9H4ClIN2S
Exact Mass 333.882842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HceuZMHzVn
Name 4-Chloro-5-iodo-6-(prop-1-ynyl)thieno[2,3-d]pyrimidine
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4ClIN2S
InChI InChI=1S/C9H4ClIN2S/c1-2-3-5-7(11)6-8(10)12-4-13-9(6)14-5/h4H,1H3
InChIKey PSGQETMBCHVSDW-UHFFFAOYSA-N
Instrument Name Agilent 6850-5975C
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.jmedchem.0c01234
Molecular Weight 334.562 g/mol
SMILES c1(Cl)c2c(ncn1)sc(c2I)C#CC
SPLASH splash10-001i-2619000000-a0502f1694fbb6831379
Source of Spectrum AF-63-13773-R1d
Wiley ID 1879456