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cyclopentanecarboxylic acid-, 4-butoxy-3-ethenyl-2-methyl-, 1,1-dimethylethyl ester (1.alpha.,2.alphta.,3.beta.,4.alpha.)

View entire compound with spectra: 1 MS (GC)

cyclopentanecarboxylic acid-, 4-butoxy-3-ethenyl-2-methyl-, 1,1-dimethylethyl ester (1.alpha.,2.alphta.,3.beta.,4.alpha.)
SpectraBase Compound ID AUqH1ru4BYS
InChI InChI=1S/C17H30O3/c1-7-9-10-19-15-11-14(12(3)13(15)8-2)16(18)20-17(4,5)6/h8,12-15H,2,7,9-11H2,1,3-6H3/t12-,13-,14+,15-/m1/s1
InChIKey RKAQTIFANRNGKP-APIJFGDWSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRmjBMxpQFH
Name cyclopentanecarboxylic acid-, 4-butoxy-3-ethenyl-2-methyl-, 1,1-dimethylethyl ester (1.alpha.,2.alphta.,3.beta.,4.alpha.)
Alternate Name(s) tert-Butyl (1S,2R,3R,4R)-4-butoxy-2-methyl-3-vinylcyclopentanecarboxylate
CAS Registry Number 137252-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-7-9-10-19-15-11-14(12(3)13(15)8-2)16(18)20-17(4,5)6/h8,12-15H,2,7,9-11H2,1,3-6H3/t12-,13-,14+,15-/m1/s1
InChIKey RKAQTIFANRNGKP-APIJFGDWSA-N
Molecular Weight 282.424 g/mol
SMILES [C@]1(C(OC(C)(C)C)=O)([C@@]([C@@](C=C)([C@@](C1)(OCCCC)[H])[H])(C)[H])[H]
SPLASH splash10-0a4i-9310000000-dd4785673fed05c6b44d
Source of Spectrum J-57-110-22
Wiley ID 1286180