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Allyl 6-methylhept-2-ynoate
SpectraBase Compound ID C5mA4m0KC8P
InChI InChI=1S/C11H16O2/c1-4-9-13-11(12)8-6-5-7-10(2)3/h4,10H,1,5,7,9H2,2-3H3
InChIKey YNSRJXZMJJNBHY-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqddeYQlVI0
Name Allyl 6-methylhept-2-ynoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-4-9-13-11(12)8-6-5-7-10(2)3/h4,10H,1,5,7,9H2,2-3H3
InChIKey YNSRJXZMJJNBHY-UHFFFAOYSA-N
Instrument Name HP5973-6890 or Agilent 5977A-7890B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807923
Molecular Weight 180.247 g/mol
Quality 181
SMILES C(COC(C#CCCC(C)C)=O)=C
SPLASH splash10-00tg-9300000000-51682eb31fc82093c605
Source of Spectrum ACI-57-SM32-17 (DOI: 10.1002/anie.201807923)
Wiley ID 1893570