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tert-Butyl [5-(3-oxo-2-pent-2-enylcyclopentyl)pentyloxy]acetate
SpectraBase Compound ID JgI9JfFLpLK
InChI InChI=1S/C21H36O4/c1-5-6-8-12-18-17(13-14-19(18)22)11-9-7-10-15-24-16-20(23)25-21(2,3)4/h6,8,17-18H,5,7,9-16H2,1-4H3/b8-6+/t17-,18?/m0/s1
InChIKey PBJGETBMNYOTNL-SAGFTPQHSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mhaF93pfdH
Name tert-Butyl [5-(3-oxo-2-pent-2-enylcyclopentyl)pentyloxy]acetate
Alternate Name(s) tert-Butyl[(5-{3-oxo-2-[(2E)-2-pentenyl]cyclopentyl}pentyl)oxy]acetate tert-Butyl[5-(3-oxo-2-pent-2-enylcyclopentyl)pentyloxy]acetate[new2]{5-[(1S,2R)-3-Oxo-2-((E)-pent-2-enyl)-cyclopentyl]-pentyloxy}-acetic acid tert-butyl ester
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Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-5-6-8-12-18-17(13-14-19(18)22)11-9-7-10-15-24-16-20(23)25-21(2,3)4/h6,8,17-18H,5,7,9-16H2,1-4H3/b8-6+/t17-,18?/m0/s1
InChIKey PBJGETBMNYOTNL-SAGFTPQHSA-N
Molecular Weight 352.515 g/mol
SMILES C1(C([C@@](CCCCCOCC(OC(C)(C)C)=O)(CC1)[H])C\C=C\CC)=O
SPLASH splash10-0pe9-9530000000-8ff9682dc20193aad78f
Source of Spectrum KC-0-3556-23
Wiley ID 823852