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3-(3-Butenyl)-5,5-dimethyl-2-oxa-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID Bgfq7fS1VmC
InChI InChI=1S/C13H20O3/c1-5-6-7-9-8-13(2,3)10(11(9)14)12(15)16-4/h5,9-10H,1,6-8H2,2-4H3
InChIKey RDTPLIONTBNTEB-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7g1kOjDd7d
Name Methyl 3-(1-but-3-enyl)-5,5-dimethyl-2-oxocyclopentanecarboxylate
Alternate Name(s) Methyl 4-(3-butenyl)-2,2-dimethyl-5-oxocyclopentanecarboxylate
CAS Registry Number 104641-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-6-7-9-8-13(2,3)10(11(9)14)12(15)16-4/h5,9-10H,1,6-8H2,2-4H3
InChIKey RDTPLIONTBNTEB-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C(CC(C1=O)CCC=C)(C)C)C(=O)OC
SPLASH splash10-00di-0910000000-89efa86624e0c1fdcbde
Source of Spectrum C-108-7690-8
Wiley ID 1225283