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4'-Iodo-2'(E)-butenyl 2-Propynoate
SpectraBase Compound ID JdWmEvcjHLA
InChI InChI=1S/C7H7IO2/c1-3-7(9)10-6(2)4-5-8/h1,4H,5H2,2H3/b6-4+
InChIKey RHRPSDRFNVVSMN-GQCTYLIASA-N
Mol Weight 250.04 g/mol
Molecular Formula C7H7IO2
Exact Mass 249.949074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W56JybLRRG
Name 4'-Iodo-2'(E)-butenyl 2-Propynoate
CAS Registry Number 129178-05-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7IO2
InChI InChI=1S/C7H7IO2/c1-3-7(9)10-6(2)4-5-8/h1,4H,5H2,2H3/b6-4+
InChIKey RHRPSDRFNVVSMN-GQCTYLIASA-N
Molecular Weight 250.035 g/mol
SMILES C(C(O\C(=C\CI)C)=O)#C
SPLASH splash10-0f89-0980000000-08ed4d6b4cd7421e9ef8
Source of Spectrum J-56-5124-1
Synonyms (1E)-3-iodo-1-methyl-1-propenyl propiolate
Wiley ID 1252567