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2-octynoic acid, cis-3-hexenyl ester
SpectraBase Compound ID 31dDCRsM50E
InChI InChI=1S/C14H22O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9,11,13H2,1-2H3/b8-6-
InChIKey ANJQMBWSXVCLTG-VURMDHGXSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6WmjxwaxZy
Name 2-OCTYNOIC ACID, cis-3-HEXENYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 68698-58-8
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9,11,13H2,1-2H3/b8-6-
InChIKey ANJQMBWSXVCLTG-VURMDHGXSA-N
Instrument Name BRUKER AC-300
Molecular Weight 222.33
Solvent CDCl3; Reference=TMS; Temperature 297K