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Allyl 7-methyloct-2-ynoate
SpectraBase Compound ID 9ltKiFtPIWf
InChI InChI=1S/C12H18O2/c1-4-10-14-12(13)9-7-5-6-8-11(2)3/h4,11H,1,5-6,8,10H2,2-3H3
InChIKey DHUNQHMPYRYBQS-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpGsuuvJW6C
Name Allyl 7-methyloct-2-ynoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-4-10-14-12(13)9-7-5-6-8-11(2)3/h4,11H,1,5-6,8,10H2,2-3H3
InChIKey DHUNQHMPYRYBQS-UHFFFAOYSA-N
Instrument Name HP 6890-5973 or Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/cbic.201900764
Molecular Weight 194.274 g/mol
SMILES C(C#CCCCC(C)C)(=O)OCC=C
SPLASH splash10-05ox-9100000000-5e13233cdd4bc7199f68
Source of Spectrum CBC-21-SM14-5i
Wiley ID 1855986