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2-Heptyl-3-(7-carbomethoxyheptyl)-cyclopent-2-enone
SpectraBase Compound ID CoG9FINnN0N
InChI InChI=1S/C21H36O3/c1-3-4-5-7-11-14-19-18(16-17-20(19)22)13-10-8-6-9-12-15-21(23)24-2/h3-17H2,1-2H3
InChIKey YSOCBRZQQDHXMX-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vor48wIKH9
Name 2-Heptyl-3-(7-carbomethoxyheptyl)-cyclopent-2-enone
Alternate Name(s) Methyl 9-oxoprost-8(12)-en-20-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-3-4-5-7-11-14-19-18(16-17-20(19)22)13-10-8-6-9-12-15-21(23)24-2/h3-17H2,1-2H3
InChIKey YSOCBRZQQDHXMX-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES C1(=C(CCC1=O)CCCCCCCC(=O)OC)CCCCCCC
SPLASH splash10-0a6r-6940000000-90ebb6d51f2af53a89ef
Source of Spectrum S-17-814-3
Wiley ID 1332703