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(E)-1-Ethyl-2-iodo-but-1-enyl thiocyanate
SpectraBase Compound ID 8b8qkH9hLKq
InChI InChI=1S/C7H10INS/c1-3-6(8)7(4-2)10-5-9/h3-4H2,1-2H3/b7-6+
InChIKey UAGWWIGSNQOHPN-VOTSOKGWSA-N
Mol Weight 267.13 g/mol
Molecular Formula C7H10INS
Exact Mass 266.957866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cq1xun0aYZ
Name Thiocyanic acid, 1-ethyl-2-iodo-1-butenyl ester, (E)-
CAS Registry Number 112701-57-2
Comments Less than 3 mono-isotopic peaks
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Formula C7H10INS
InChI InChI=1S/C7H10INS/c1-3-6(8)7(4-2)10-5-9/h3-4H2,1-2H3/b7-6+
InChIKey UAGWWIGSNQOHPN-VOTSOKGWSA-N
Molecular Weight 267.128 g/mol
SMILES C(#N)S\C(=C/(I)CC)CC
SPLASH splash10-00or-9060000000-a19cce2fdf3e32ca4505
Source of Spectrum KC-1987-1019-2
Synonyms (1E)-1-ethyl-2-iodo-1-butenyl thiocyanate (E)-1-Ethyl-2-iodobut-1-enylthiocyanate
Wiley ID 1270846