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E-2-Heptenoic acid, 3-iodo-
SpectraBase Compound ID KABYU4cdOHq
InChI InChI=1S/C7H11IO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-
InChIKey AHLQBEBTXHGXFA-WAYWQWQTSA-N
Mol Weight 254.07 g/mol
Molecular Formula C7H11IO2
Exact Mass 253.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5Kf0SaO4I2
Name (Z)-3-iodo-2-heptenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11IO2
InChI InChI=1S/C7H11IO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-
InChIKey AHLQBEBTXHGXFA-WAYWQWQTSA-N
Instrument Name Hewlett Packard 5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980731)12_14_955
Molecular Weight 254.067 g/mol
SMILES OC(\C=C\(I)CCCC)=O
SPLASH splash10-0gyx-9030000000-7c479e1b863a5100559c
Source of Spectrum RCM-12-957-4b
Wiley ID 1837725