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5-Heptynoic acid, 7-iodo-, methyl ester
SpectraBase Compound ID 7Hkft5LdWBA
InChI InChI=1S/C8H11IO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3
InChIKey WIKIKPVACBCKQK-UHFFFAOYSA-N
Mol Weight 266.08 g/mol
Molecular Formula C8H11IO2
Exact Mass 265.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYQagSbKUy0
Name 5-Heptynoic acid, 7-iodo-, methyl ester
CAS Registry Number 31776-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11IO2
InChI InChI=1S/C8H11IO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3
InChIKey WIKIKPVACBCKQK-UHFFFAOYSA-N
Molecular Weight 266.078 g/mol
SMILES C(#CCCCC(=O)OC)CI
SPLASH splash10-004r-9600000000-636f09920c64b8659f34
Source of Spectrum B-40-279-10
Synonyms 7-iodo-5-heptynoic acid methyl ester 7-iodohept-5-ynoic acid methyl ester Methyl 7-iodanylhept-5-ynoate Methyl 7-iodohept-5-ynoate
Wiley ID 1269343